event photo with many people in the atrium of IFW


Name Popov, Dr. Alexey
Department Nanoscale Chemistry
Position Group leader (Fullerenes)
Phone Number +49-351-4659-871
Email A.Popov(at)ifw-dresden.de

Short CV

2010-present: group-leader, IFW Dresden, Dept. Nanoscale Chemistry
2008-2010: Humboldt Fellow, IFW Dresden
2006-2008: senior researcher, Chemistry Department, Moscow State University
2003-2005: junior researcher, Chemistry Department, Moscow State University
1999-2003: Ph. D. in Physical Chemistry at Chemistry Department, Moscow State University
1994-1999: student, Chemistry Department, Moscow State University

Research interests

  • Endohedral metallofullerenes
  • Single molecule magnetism, magnetic properties of metallofullerenes
  • Electron transfer, electrochemistry and spectroelectrochemistry
  • Vibrational and optical spectroscopy
  • Quantum-chemical calculations of molecular structure and spectroscopic properties of molecular systems
  • Chemical bonding, QTAIM, ELF, topological analysis, molecular dynamics
  1. D. Krylov, G. Velkos, C.-H. Chen, B. Büchner, A. Kostanyan, T. Greber, S. M. Avdoshenko, A. A. Popov. Magnetic hysteresis and strong ferromagnetic coupling of sulfur-bridged Dy ions in clusterfullerene Dy2S@C82. Inorg. Chem. Front. 2020, in press. DOI: 10.1039/D0QI00771D

  2. G. Velkos, W. Yang, Y.-R. Yao, S. M. Sudarkova, X.Y. Liu, B. Büchner, S. M. Avdoshenko, N. Chen, A. A. Popov. Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy–(μ2-O)–Dy angle.  Chem. Sci. 2020, in press.DOI: 10.1039/D0SC00624F

  3. D. S. Krylov, S. Schimmel, V. Dubrovin, F. Liu, T. T. N. Nguyen, L. Spree, C.-H. Chen, G. Velkos, C. Bulbucan, R. Westerström, M. Studniarek, J. Dreiser, C. Hess, B. Büchner, S. M. Avdoshenko, A. A. Popov. Substrate‐independent magnetic bistability in monolayers of single molecule magnet Dy2ScN@C80 on metals and insulator.  Angew. Chem. Int. Ed. 2020,  59 (14), 5756-5764 DOI: 10.1002/anie.201913955

  4. J. Ma, Y. Fu, E. Dmitrieva, F. Liu, H. Komber, F. Hennersdorf, A. A. Popov, J. J. Weigand, J. Liu, X. Feng. Helical Nanographenes Containing an Azulene Unit: Synthesis, Crystal Structures, and Properties.  Angew. Chem. Int. Ed. 2020,  59 (14), 5637-5642 DOI: 10.1002/anie.201914716

  5. L. Spree, C. Schlesier, A. Kostanyan, R. Westerström, T. Greber, B. Büchner,  S. Avdoshenko, A. A. Popov. Single molecule magnets DyM2N@C80 and Dy2MN@C80 (M = Sc, Lu): The impact of diamagnetic metals on the Dy3+ magnetic anisotropy, Dy∙∙∙Dy coupling, and mixing of molecular and lattice vibrations.  Chem. Eur. J.  2020, 26, 2436-2449 .DOI: 10.1002/chem.201904879

  6. F. Liu, L. Spree, D. S. Krylov, G. Velkos, S. M. Avdoshenko, A. A. Popov. Single-electron lanthanide-lanthanide bonds inside fullerenes toward robust redox-active molecular magnets.  Acc. Chem. Res. 201952 (10), 2981-2993.  DOI: 10.1021/acs.accounts.9b00373

  7. V. Dubrovin,  A. A. Popov, S. Avdoshenko. Magnetism in Ln molecular systems with 4f/valence-shell interplay (FV-magnetism).  Chem. Commun.  201955, 13963-13966.  DOI: 10.1039/C9CC06913E

  8. W. Yang, G. Velkos, F. Liu, S. M. Sudarkova, Y. Wang, J. Zhuang, H. Zhang, X. Li, X. Zhang, B. Büchner, S. M. Avdoshenko, A. A. Popov, N. Chen. Single molecule magnetism with strong magnetic anisotropy and enhanced Dy∙∙∙Dy coupling in three isomers of Dy-oxide clusterfullerene Dy2O@C82.  Adv. Sci. 2019, 1901352. DOI: 10.1002/advs.201901352

  9. F. Liu, G. Velkos, D. S. Krylov, L. Spree, M. Zalibera, R. Ray, N. A. Samoylova, C.-H. Chen, M. Rosenkranz, S. Schiemenz, F. Ziegs, K. Nenkov, A. Kostanyan, T. Greber, A. U. B. Wolter, M. Richter, B. Büchner, S. M. Avdoshenko, A. A. Popov. Air-stable redox-active nanomagnets with lanthanide spins radical-bridged by a metal-metal bond.  Nat. Commun.  201910, 571. DOI: 10.1038/s41467-019-08513-6

  10. G. Velkos, D. S. Krylov, K. Kirkpatrick, L. Spree, V. Dubrovin, B. Büchner, S. M. Avdoshenko, V. Bezmelnitsyn, S. Davis, P. Faust, J. Duchamp, H. C. Dorn, A. A. Popov. High blocking temperature of magnetization and giant coercivity in the azafullerene Tb2@C79N with a single-electron Tb–Tb bond.  Angew. Chem. Int. Ed.  201958, 5891.  DOI: 10.1002/anie.201900943

  1. V. Dubrovin, A. A. Popov, S. M. Avdoshenko. Valence Electrons in Lanthanide-Based Single-Atom Magnets: A Paradigm Shift in 4f-Magnetism Modeling and Design. ChemRxiv. Preprint  2020.DOI: 10.26434/chemrxiv.12800096.v1

  2. M. Schulz, N. Hagmeyer, F. Wehmeyer, G. Lowe, M. Rosenkranz, B. Seidler, A. Popov, C. Streb, J. G. Vos, B. Dietzek. Photoinduced charge accumulation and prolonged multielectron storage for the separation of light and dark reaction.  J. Am. Chem. Soc. 2020142  (37), 15722-15728. DOI: 10.1021/jacs.0c03779

  3. D. Krylov, G. Velkos, C.-H. Chen, B. Büchner, A. Kostanyan, T. Greber, S. M. Avdoshenko, A. A. Popov. Magnetic hysteresis and strong ferromagnetic coupling of sulfur-bridged Dy ions in clusterfullerene Dy2S@C82. Inorg. Chem. Front. 2020, in press. DOI: 10.1039/D0QI00771D

  4. A. D. Pykhova, O. O. Semivrazhskaya, N. A. Samoylova, A. V. Rybalchenko, M. Rosenkranz, I. N. Ioffe, A. A Popov, A. A. Goryunkov. Addition of CF2 group to endohedral fullerene Sc3N@Ih-C80.  Dalton Trans. 2020, 49, 9137-9147. DOI: 10.1039/D0DT01513J

  5. G. Velkos, W. Yang, Y.-R. Yao, S. M. Sudarkova, X.Y. Liu, B. Büchner, S. M. Avdoshenko, N. Chen, A. A. Popov. Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy–(μ2-O)–Dy angle.   Chem. Sci.   2020, 11, 4766-4772. DOI: 10.1039/D0SC00624F

  6. A. Kostanyan, R. Westerström, D. Kunhardt, B. Büchner, A. A. Popov, T. Greber.  Sub-Kelvin hysteresis of the dilanthanide single-molecule magnet Tb2ScN@C80.   Phys. Rev. B 2020, 101, 134429. DOI: 10.1103/PhysRevB.101.134429

  7. D. S. Krylov, S. Schimmel, V. Dubrovin, F. Liu, T. T. N. Nguyen, L. Spree, C.-H. Chen, G. Velkos, C. Bulbucan, R. Westerström, M. Studniarek, J. Dreiser, C. Hess, B. Büchner, S. M. Avdoshenko, A. A. Popov. Substrate‐independent magnetic bistability in monolayers of single molecule magnet Dy2ScN@C80 on metals and insulator.  Angew. Chem. Int. Ed. 2020,  59, 5756-5764DOI: 10.1002/anie.201913955

  8. J. Ma, Y. Fu, E. Dmitrieva, F. Liu, H. Komber, F. Hennersdorf, A. A. Popov, J. J. Weigand, J. Liu, X. Feng. Helical Nanographenes Containing an Azulene Unit: Synthesis, Crystal Structures, and Properties.   Angew. Chem. Int. Ed.  2020,  59, 5637-5642. DOI: 10.1002/anie.201914716

  9. L. Spree, C. Schlesier, A. Kostanyan, R. Westerström, T. Greber, B. Büchner,  S. Avdoshenko, A. A. Popov. Single molecule magnets DyM2N@C80 and Dy2MN@C80 (M = Sc, Lu): The impact of diamagnetic metals on the Dy3+ magnetic anisotropy, Dy∙∙∙Dy coupling, and mixing of molecular and lattice vibrations.  Chem. Eur. J.  2020, 26, 2436-2449.  DOI: 10.1002/chem.201904879

  10. E. Dmitrieva, X. Yu, A. Popov, H. Hartmann. On the electrochemical reduction of 4‐(thiazol‐2‐ylazo)‐substituted 1‐chloronaphthalenes: formation and characterization of stable radical anions.  ChemElectroChem  2020, 7 (7), 1666-1671. DOI: 10.1002/celc.202000121

  11. S. N. Intorp, M. Hodecker, M. Müller, O. Tverskoy, M. Rosenkranz, E. Dmitrieva, A. A. Popov, F. Rominger, J. Freudenberg, A. Dreuw, U. H. Bunz. Quinoidal Azaacenes: 99% Diradical Character.   Angew. Chem. Int. Ed.  2020, 59 (30), 12396-12401. DOI: 10.1002/anie.201915977

  12. Ajayakumar M R, Y. Fu, F. Liu, H. Komber, V. Tkachova, C. Xu, S. Zhou, A. A. Popov, J. Liu, X. Feng. Tailoring Magnetic Feature in Zigzag‐Edged Nanographenes via Controlled Diels‐Alder Reactions.  Chem. Eur. J. 2020, 26, 7497-7503.  DOI: 10.1002/chem.202001130

  13. M. Korb, X. Liu, S. Walz, M. Rosenkranz, E. Dmitrieva, A. A. Popov, H. Lang. (Electrochemical) Properties and Computational Investigations of Ferrocenyl-Substituted Fe33-PFc)2(CO)9 and Co44-PFc)2(CO)9 Clusters and their Reduced Species.  Inorg. Chem.  2020, 59, 6147-6169. DOI: 10.1021/acs.inorgchem.0c00276

  14. J. Melidonie, E. Dmitrieva, K. Zhang, Y. Fu, A. A. Popov, W. Pisula, R. Berger, J. Liu, X. Feng.  Dipyrene-Fused Dicyclopenta[a,f]naphthalenes.  J. Org. Chem.  2020, 85, 215-223. DOI: 10.1021/acs.joc.9b02626

  1. F. Liu, L. Spree, D. S. Krylov, G. Velkos, S. M. Avdoshenko, A. A. Popov. Single-electron lanthanide-lanthanide bonds inside fullerenes toward robust redox-active molecular magnets.  Acc. Chem. Res. 201952 (10), 2981-2993. DOI: 10.1021/acs.accounts.9b00373

  2. V. Dubrovin,  A. A. Popov, S. Avdoshenko. Magnetism in Ln molecular systems with 4f/valence-shell interplay (FV-magnetism).  Chem. Commun.  201955, 13963-13966. DOI: 10.1039/C9CC06913E

  3. R. B. Zaripov, S. M. Avdoshenko, I. Khairuzhdinov, K. M Salikhov, V. K. Voronkova, S. Weheabby, T. Rüffer, A. A. Popov, B. Büchner, V. Kataev.  Effect of the Diamagnetic Single Crystalline Host on the Angular-Resolved Electron Nuclear Double Resonance Experiments: Case of Paramagnetic [nBu4N]2[Cu(opba)] Embedded in Diamagnetic [nBu4N]2[Ni(opba)] J. Phys. Chem. Lett.  201910, 6565-6571. DOI: 10.1021/acs.jpclett.9b02523

  4. C. Schlesier, F. Liu, V. Dubrovin, L. Spree, B. Büchner, S. M. Avdoshenko, A. A Popov. Mixed dysprosium-lanthanide nitride clusterfullerenes DyM2N@C80-Ih and Dy2MN@C80-Ih (M = Gd, Er, Tm, and Lu): synthesis, molecular structure, and quantum motion of the endohedral nitrogen atomNanoscale 201911, 13139. DOI: 10.1039/C9NR03593A

  5. W. Yang, G. Velkos, F. Liu, S. M. Sudarkova, Y. Wang, J. Zhuang, H. Zhang, X. Li, X. Zhang, B. Büchner, S. M. Avdoshenko, A. A. Popov, N. Chen. Single molecule magnetism with strong magnetic anisotropy and enhanced Dy∙∙∙Dy coupling in three isomers of Dy-oxide clusterfullerene Dy2O@C82.  Adv. Sci. 2019, 1901352. DOI: 10.1002/advs.201901352

  6. D. Konarev, A. A. Popov, L. V. Zorina, S. S. Khasanov, R. N. Lyubovskaya. Molecular structure, magnetic and optical properties of endometallonitridofullerene Sc3N@Ih‐C80 in neutral, radical anion and dimeric anionic formsChem. Eur. J. 2019,  25 (65), 14858-14869. DOI: 10.1002/chem.201902782

  7. F. Liu, G. Velkos, D. S. Krylov, L. Spree, M. Zalibera, R. Ray, N. A. Samoylova, C.-H. Chen, M. Rosenkranz, S. Schiemenz, F. Ziegs, K. Nenkov, A. Kostanyan, T. Greber, A. U. B. Wolter, M. Richter, B. Büchner, S. M. Avdoshenko, A. A. Popov. Air-stable redox-active nanomagnets with lanthanide spins radical-bridged by a metal-metal bond.  Nat. Commun.  201910, 571. DOI: 10.1038/s41467-019-08513-6

  8. G. Velkos, D. S. Krylov, K. Kirkpatrick, L. Spree, V. Dubrovin, B. Büchner, S. M. Avdoshenko, V. Bezmelnitsyn, S. Davis, P. Faust, J. Duchamp, H. C. Dorn, A. A. Popov. High blocking temperature of magnetization and giant coercivity in the azafullerene Tb2@C79N with a single-electron Tb–Tb bond.  Angew. Chem. Int. Ed.  201958, 5891.  DOI: 10.1002/anie.201900943

  9. L. Spree, A. A. Popov. Recent advances in single molecule magnetism of dysprosium-metallofullerenesDalton Trans. 2019, 48, 2861. DOI: 10.1039/c8dt05153d

  10. V. Dubrovin, L.-H. Gan, B. Büchner, A. A. Popov, S. M. Avdoshenko. Endohedral metal-nitride cluster ordering in metallofullerene-NiII(OEP) complexes and crystals: a theoretical study. Phys. Chem. Chem. Phys.  201921, 8197. DOI: 10.1039/C9CP00634F

  11. T. Greber, A. P. Seitsonen, A. Hemmi, J. Dreiser, R. Stania, F. Matsui, M. Muntwiler, A. A. Popov, R. Westerström. Circular dichroism and angular deviation in x-ray absorption spectra of Dy2ScN@C80 single molecule magnets on h-BN/Rh(111).  Phys. Rev. Materials 2019,  3, 014409.  DOI: 10.1103/PhysRevMaterials.3.014409

  12. N. J. DeWeerd, E. V. Bukovsky, K. P. Castro, I. V. Kuvychko, A. A. Popov, S. H. Strauss, O. V. Boltalina. Steric and electronic effects of CF3 conformations in acene(CF3)n derivatives.  J. Fluor. Chem.  2019221, 1-7. DOI: 10.1016/j.jfluchem.2019.02.010

  13. K. P. Castro, E. V. Bukovsky, I. V. Kuvychko, N. J. DeWeerd, Y.-S. Chen, S. H. M. Deng, X.-B. Wang, A. A. Popov, S. H. Strauss, O. V. Boltalina. PAH/PAH(CF3)n Donor/Acceptor Charge-Transfer Complexes in Solution and in Solid-State Co-CrystalsChem. Eur. J. 201925 (59), 13547-13565. DOI: 10.1002/chem.201902712

  14. J. Ma, K. Zhang, K. S. Schellhammer, Y. Fu, H. Komber, C. Xu, A. A. Popov, F. Hennersdorf, J. J. Weigand, S. Zhou, W. Pisula, F. Ortmann, R. F. J. Berger, J. Liu, X. Feng. Wavy-shaped Polycyclic Hydrocarbons with Controlled AromaticityChem. Sci.  201910, 4025. DOI: 10.1039/C8SC05416A

  15. Y. Fu, K. Zhang, E. Dmitrieva, F. Liu, J. Ma, J. J. Weigand, A. A. Popov, R. Berger, W. Pisula, J. Liu, X. Feng. NBN-embedded polycyclic aromatic hydrocarbons containing pentagonal and heptagonal ringsOrg. Lett. 201921, 1354. DOI: 10.1021/acs.orglett.9b00057

  16. M. Richter, Y. Fu, E. Dmitrieva, J. J. Weigand, A. A. Popov, R. Berger, J. Liu, X. Feng. A Polycyclic Aromatic Hydrocarbon Containing A Pyrrolopyridazine CoreChemPlusChem 201984, 613. DOI: 10.1002/cplu.201900031

  17. S. N. Intorp, S. Kushida, E. Dmitrieva, A. A Popov, F. Rominger, J. Freudenberg, F. Hinkel, U. H. F. Bunz. True Blue Through Oxidation – A Thiaazulenic Heterophenoquinone as ElectrochromeChem. Eur. J. 201925, 5412. DOI: 10.1002/chem.201900535

  18. M. Richter, S. Hahn, E. Dmitrieva, F. Rominger, A. Popov, U. H. F. Bunz, X. Feng, R. Berger. Helical Ullazine-Quinoxaline-Based Polycyclic Aromatic Hydrocarbons.  Chem. Eur. J. 2019,  25 (5), 1345-1352. DOI: 10.1002/chem.201804751

  1. S. M. Avdoshenko, F. Fritz, C. Schlesier, A. Kostanyan, J. Dreiser, M. Luysberg, A. A. Popov, C. Meyer, R. Westerström. Partial magnetic ordering in one-dimensional arrays of endofullerene single-molecule magnet peapods.  Nanoscale  201810, 18153-18160. DOI: 10.1039/C8NR05386C

  2. A. Brandenburg, D. S. Krylov, A. Beger, A. U. B. Wolter, B. Büchner, A. A. Popov. Carbide clusterfullerene DyYTiC@C80 featuring three different metals in the endohedral cluster and its single-ion magnetism.  Chem. Commun.  201854, 10683-10686. DOI: 10.1039/C8CC04736G

  3. C. Schlesier, L. Spree, A. Kostanyan, R. Westerström, A. Brandenburg, A. U. B. Wolter, S. Yang, T. Greber, A. A Popov. Strong carbon cage influence on the single molecule magnetism in Dy-Sc nitride clusterfullerenes.  Chem. Commun.  201854, 9730-9733. DOI: 10.1039/C8CC05029E

  4. X. Zhang, W.-L. Li, L. Feng, X. Chen, A. Hansen, S. Grimme, S. Fortier, D.-C. Sergentu, T. Duignan, J. Autschbach, S. Wang, Y. Wang, G. Velkos, A. Popov, N. Aghdassi, S. Duhm, X. Li, J. Li, L. Echegoyen, W. H. E. Schwarz, N. Chen. A Diuranium Carbide Cluster Stabilized Inside a C80 Fullerene Cage.  Nat. Commun.  20189, 2753. DOI: 10.1038/s41467-018-05210-8

  5. R. Stania, A. P. Seitsonen, D. Kunhardt, B. Büchner, A. A. Popov, M. Muntwiler, T. Greber. Electrostatic Interaction Across a Single Layer Carbon Shell.  J. Phys. Chem. Lett.  20189, 3586-3590. DOI: 10.1021/acs.jpclett.8b01326

  6. C.-H. Chen, D. S. Krylov, S. M. Avdoshenko, F. Liu, L. Spree, R. Westerström, C. Bulbucan, M. Studniarek, J. Dreiser, A. U. B. Wolter, B. Büchner, A. A. Popov. Magnetic hysteresis in self-assembled monolayers of Dy-fullerene single molecule magnets on gold.  Nanoscale  201810, 11287-11292. DOI: 10.1039/C8NR00511G

  7. I. V. Kuvychko, T. T. Clikeman, C. Dubceac, Y.-S. Chen, M. Petrukhina, S. H. Strauss, A. A. Popov, O. V. Boltalina.  Understanding Polyarene Trifluoromethylation with Hot CF3 Radicals using Corannulene.  Eur. J. Org. Chem. 2018, (31), 4233-4245. DOI: 10.1002/ejoc.201800508

  8. M. R. Ajayakumar, Y. Fu, J. Ma, F. Hennersdorf, H. Komber, J. J. Weigand, A. Alfonsov, A. A. Popov, R. Berger, J. Liu, K. Müllen, X. Feng.  Toward Full Zigzag-Edged Nanographenes: peri-Tetracene and Its Corresponding Circumanthracene.  J. Am. Chem. Soc. 2018140 (20), 6240–6244. DOI: 10.1021/jacs.8b03711

  9. D. S. Krylov, F. Liu, A. Brandendurg, L. Spree, V. Bon, S. Kaskel, A. U. B. Wolter, B. Büchner, S. M. Avdoshenko, A. A. Popov. Magnetization relaxation in the single-ion magnet DySc2N@C80: quantum tunneling, magnetic dilution, and unconventional temperature dependence.  Phys. Chem. Chem. Phys.  201820, 11656-11672. DOI: 10.1039/C8CP01608A

  10. G. Velkos, D. S. Krylov, K. Kirkpatrick, X. Liu, L. Spree, A. U. B. Wolter, B. Büchner, H. C. Dorn, A. A. Popov. Giant exchange coupling and field-induced slow relaxation of magnetization in Gd2@C79N with a single-electron Gd–Gd bond.  Chem. Commun.  201854, 2902-2905. DOI: 10.1039/C8CC00112J

  11. B. J. Eleazer, M. D. Smith, A. A. Popov, D. V. Peryshkov. Expansion of the (BB)>Ru metallacycle with coinage metal cations: formation of B–M–Ru–B (M = Cu, Ag, Au) dimetalacyclodiboryls.  Chem. Sci.  20189, 2601-2608. DOI: 10.1039/C8SC00190A

  12. L. K. San, S. N. Spisak, C. Dubceac, S. H M. Deng, I. V. Kuvychko, M. A. Petrukhina, X.-B. Wang, A. A. Popov, S. H. Strauss, O. V. Boltalina.  Experimental and DFT Studies of the Electron-Withdrawing Ability of Perfluoroalkyl (RF) Groups: Electron Affinities of PAH(RF)n Increase Significantly with Increasing RF Chain LengthChem. Eur. J. 201824 (6), 1441-1447. DOI: 10.1002/chem.201704868

  13. A. A. Popov. Redox-active metal–metal bonds between lanthanides in dimetallofullerenes.  Curr. Opin. Electrochem.  20188, 73-80. DOI: 10.1016/j.coelec.2017.12.003

  14. M. Zalibera, D. S. Krylov, D. Karagiannis, P.-A. Will, F. Ziegs, S. Schiemenz, W. Lubitz, S. Reineke, A. Savitsky, A. A. Popov. Thermally-activated delayed fluorescence in Y3N@C80 endohedral fullerene: time resolved luminescence and electron paramagnetic resonance studies.  Angew. Chem. Int. Ed.  2018130 (1), 283–287. DOI: 10.1002/anie.201710637

  1. F. Liu, S. Wang, C.-L. Gao, Q. Deng, X. Zhu, A. Kostanyan, R. Westerström, F. Jin, S.-Y. Xie, A. A. Popov, T. Greber, S. Yang. Mononuclear Clusterfullerene Single-Molecule Magnet Containing Strained Fused-Pentagons Stabilized by a Nearly Linear Metal Cyanide Cluster. Angew. Chem. Int. Ed. 201756 (7), 1830-1834. DOI: 10.1002/anie.201611345.

  2. A. M. Rice, W. B. Fellows, E. A. Dolgopolova, A. B. Greytak, A. K. Vannucci, M. D. Smith, S. G. Karakalos, J. A. Krause, S. M. Avdoshenko, A. A. Popov, N. B. Shustova. Hierarchical Corannulene-Based Materials: Energy Transfer and Solid-State Photophysics. Angew. Chem. Int. Ed. 201756 (16), 4525-4529. DOI: 10.1002/anie.201612199

  3. M. Richter, K. S. Schellhammer, P. Machata, G. Cuniberti, A. A. Popov, F. Ortmann, R. F. J. Berger, K. Müllen, X. Feng. Polycyclic Heteroaromatic Hydrocarbons Containing a Benzoisoindole Core. Org. Chem. Front. 20174, 847-852. DOI: 10.1039/C7QO00180K

  4. F. Liu, F. Jin, S. Wang, A. A. Popov, S. Yang. Pyramidal TiTb2C cluster encapsulated within the popular Ih(7)-C80 fullerene cage. Inorg. Chim. Acta 2017468, 203-208. DOI: 10.1016/j.ica.2017.04.027

  5. N. A. Samoylova, S. M. Avdoshenko, D. S. Krylov, H. R Thompson, A. Kirkhorn, M. Rosenkranz, S. Schiemenz, F. Ziegs, A. U. B. Wolter, S. Yang, S. Stevenson, A. A. Popov. Confining the spin between two metal atoms within the carbon cage: Redox-active metal-metal bonds in dimetallofullerenes and their stable cation radicals. Nanoscale 20179, 7977-7990. DOI: 10.1039/C7NR02288C

  6. S. Schimmel, Z. Sun, D. Baumann, D. Krylov, N. Samoylova, A. Popov, B. Büchner, C. Hess. Adsorption characteristics of Er3N@C80 on W(110) and Au(111) studied via STM/STS. Beilstein J. Nanotechnol. 20178, 1127-1134. DOI: 10.3762/bjnano.8.114

  7. J. Liu, J. Ma, K. Zhang, P. Ravat, P. Machata, S. M. Avdoshenko, F. Hennersdorf, H. Komber, W. Pisula, J. J. Weigand, A. A. Popov, R. Berger, K. Müllen, X. Feng. π-Extended and Curved Anti-Aromatic Polycyclic Hydrocarbons. J. Am. Chem. Soc. 2017, 139 (22), 7513-7521. DOI: 10.1021/jacs.7b01619

  8. B. J. Eleazer, M. D. Smith, A. A. Popov, D. V. Peryshkov. Rapid reversible borane to boryl hydride exchange by metal shuttling on the carborane cluster surface. Chem. Sci. 2017, 8, 5399-5407. DOI: 10.1039/C7SC01846K

  9. D. S. Krylov, F. Liu, S. M. Avdoshenko, L. Spree, B. Weise, A. Waske, A. U. B. Wolter, B. Büchner, A. A Popov. Record-high thermal barrier of the relaxation of magnetization in the nitride clusterfullerene Dy2ScN@C80-IhChem. Commun. 201753, 7901-7904. DOI: 10.1039/C7CC03580B

  10. C.-H. Chen, D. S. Krylov, S. M. Avdoshenko, F. Liu, L. Spree, R. Yadav, A. Alvertis, L. Hozoi, K. Nenkov, A. Kostanyan, T. Greber, A. U. B. Wolter, A. A. Popov. Selective arc-discharge synthesis of Dy2S-clusterfullerenes and their isomer-dependent single molecule magnetism. Chem. Sci. 20178, 6451-6465. DOI: 10.1039/C7SC02395B

  11. F. Liu, D. S. Krylov, L. Spree, S. M. Avdoshenko, N. A. Samoylova, M. Rosenkranz, A. Kostanyan, T. Greber, A. U. B. Wolter, B. Büchner, A. A. Popov. Single molecule magnet with an unpaired electron trapped between two lanthanide ions inside a fullerene. Nat. Commun. 20178, 16098. DOI: 10.1038/ncomms16098

  12. K. Łępicka, P. Pieta, A. Shkurenko, P. Borowicz, M. Majewska, M. Rosenkranz, S. Avdoshenko, A. A. Popov, W. Kutner. Spectroelectrochemical Approaches to Mechanistic Aspects of Charge Transport in meso Nickel (II) Schiff Base Electrochromic Polymer.  J. Phys. Chem. C 2017121 (31), 16710-16720. DOI: 10.1021/acs.jpcc.7b04700

  13. F. Fritz, R. Westerström, A. Kostanyan, C. Schlesier, J. Dreiser, B. Watts, L. Houben, M. Luysberg, S. M Avdoshenko, A. A. Popov, C. M. Schneider, C. Meyer. Nanoscale X-ray investigation of magnetic metallofullerene peapods.  Nanotechnology 201728, 435703. DOI: 10.1088/1361-6528/aa8b4c

  14. K. Xu, Y. Fu, Y. Zhou, F. Hennersdorf, P. Machata, I. Vincon, J. J. Weigand, A. A. Popov, R. Berger, X. Feng. Cationic Nitrogen Doped Helical Nanographenes.  Angew. Chem. Int. Ed. 201756 (50), 15876-15881. DOI: 10.1002/anie.201707714

  15. A. Mansikkamäki, A.A. Popov, Q. Deng, N. Iwahara, L. F. Chibotaru. Interplay of spin-dependent delocalization and magnetic anisotropy in the ground and excited states of [Gd2@C78] and [Gd2@C80].  J. Chem. Phys. 2017147 (12), 124305. DOI: 10.1063/1.5004183

  16. A. Kostanyan, R. Westerström, Y. Zhang, D. Kunhardt, R. Stania, B. Büchner, A. A. Popov, T. Greber. Switching molecular conformation with the torque on a single magnetic moment.  Phys. Rev. Lett. 2017119 (23), 237202. DOI: 10.1103/PhysRevLett.119.237202

  1. K. C. Rippy, E. V. Bukovsky, T. T. Clikeman, Y.-S. Chen, G.-L. Hou, X.-B. Wang, A. A. Popov, O. V. Boltalina, S. H. Strauss. Copper Causes Regiospecific Formation of C4F8-Containing Six-Membered Rings and their Defluorination/Aromatization to C4F4-Containing Rings in Triphenylene/1,4-C4F8I2 Reactions. Chem. Eur. J. 2016, 22 (3), 874-877. DOI: 10.1002/chem.201504291

  2. Q. Deng, T. Heine, S. Irle, A. A. Popov. Self-Assembly of Endohedral Metallofullerenes: A Decisive Role of Cooling Gas and Metal-Carbon BondingNanoscale 2016, 8, 3796-3808. DOI: 10.1039/C5NR08645K

  3. E. V. Bukovsky, B. W. Larson, T. T. Clikeman, Y.-S. Chen, A. A. Popov, O. V. Boltalina, S. H. Strauss. Structures and structure-related electronic properties of new C60(CF3)10 isomers. J. Fluor. Chem. 2016185, 103-117. DOI: 10.1016/j.jfluchem.2016.02.007

  4. K. Junghans, M. Rosenkranz, A. A. Popov. Sc3CH@C80: selective 13C enrichment of the central carbon atom. Chem. Commun. 201652, 6561-6564. DOI: 10.1039/C5CC10025A

  5. D. E. Williams, E. A. Dolgopolova, D. C. Godfrey, E. D. Ermolaeva, P. J. Pellechia, A. B. Greytak, M. D. Smith, S. M. Avdoshenko, A. A. Popov, N. B. Shustova. Fulleretic Well-Defined Scaffolds: Donor–Fullerene Alignment Through Metal Coordination and Its Effect on Photophysics. Angew. Chem. Int. Ed. 201655 (31), 9070-9074. DOI: 10.1002/anie.201603584

  6. K. Junghans, K. B. Ghiassi, N. A. Samoylova, Q. Deng, M. Rosenkranz, M. M. Olmstead, A. L. Balch, A. A. Popov. Synthesis and Isolation of the Titanium-Scandium Endohedral Fullerenes – Sc2TiC@Ih-C80, Sc2TiC@D5h-C80, and Sc2TiC2@Ih-C80: Metal Size Tuning of the TiIV/TiIII Redox Potentials. Chem. Eur. J. 2016, 22 (37), 13098–13107. DOI: 10.1002/chem.201601655

  7. D. V. Konarev, L. Zorina, S. S. Khasanov, A. A Popov, A. Otsuka, H. Yamochi, G. Saito, R. N. Lyubovskaya. Crystalline anionic complex of scandium nitride endometallo-fullerene: Experimental observation of single-bonded (Sc3N@Ih-C80)2 dimers. Chem. Commun. 201652, 10763-10766. DOI: 10.1039/C6CC05550H

  8. B. J. Eleazer, M. D. Smith, A. A. Popov, D. V. Peryshkov. (BB)-Carboryne Complex of Ruthenium: Synthesis by Double B–H Activation at a Single Metal Center. J. Am. Chem. Soc. 2016, 138 (33), 10531-10538. DOI: 10.1021/jacs.6b05172

  9. X. Wang, F. Zhang, K. S. Schellhammer, P. Machata, F. Ortmann, G. Cuniberti, Y. Fu, J. Hunger, R. Tang, A. A. Popov, R. Berger, K. Müllen, X. Feng. Synthesis of NBN-type Zigzag-Edged Polycyclic Aromatic Hydrocarbons: 1,9-Diaza-9a-boraphenalene as a Structural Motif. J. Am. Chem. Soc. 2016, 138(36), 11606-11615. DOI: 10.1021/jacs.6b05172

  10. B. W. Larson, O. G. Reid, D. C. Coffey, S. M. Avdoshenko, A. A. Popov, O. V. Boltalina, S. H. Strauss, N. Kopidakis, G. Rumbles. Inter-Fullerene Electronic Coupling Controls the Efficiency of Photoinduced Charge Generation in Organic Bulk Heterojunctions. Adv. Energy Mater. 20166 (24), 1601427. DOI: 10.1002/aenm.201601427.

  11. F. Liu, C.-L. Gao, Q. Deng, X. Zhu, A. Kostanyan, R. Westerström, S. Wang, Y.-Z. Tan, J. Tao, S.-Y. Xie, A. A. Popov, T. Greber, S. Yang. Triangular Monometallic Cyanide Cluster Entrapped in Carbon Cage with Geometry-Dependent Molecular Magnetism. J. Am. Chem. Soc. 2016, 138, 14764-14771. DOI: 10.1021/jacs.6b09329.

  12. A. Konkin, A. Popov, U. Ritter, S. Orlinskii, G. Mamin, A. Aganov, A. A. Konkin, P. Scharff.  Combined W-Band Light-Induced ESR/ENDOR/TRIPLE and DFT Study of PPVtype/PC61BM Ion Radicals. J. Phys. Chem. C 2016, 120 (51), 28905-28911. DOI: 10.1021/acs.jpcc.6b08034

  1. Y. Zhang, K. B. Ghiassi, Q. Deng, N. Samoylova, M. M. Olmstead, A. L. Balch, A. A. Popov. Synthesis and Structure of LaSc2N@Cs(hept)C80 with One Heptagon and Thirteen Pentagons. Angew. Chem. Int. Ed. 201554 (2), 495-499. DOI: 10.1002/anie.201409094

  2. T. T. Clikeman, S. H. M. Deng, A. A Popov, X.-B. Wang, S. H. Strauss, O. V. Boltalina. Fullerene cyanation does not always increase electron affinity: an experimental and theoretical study. Phys. Chem. Chem. Phys. 20157, 551-556. DOI: 10.1039/C4CP04287E

  3. L. K San, E. V. Bukovsky, B. W. Larson, J. B. Whitaker, S. Deng, N. Kopidakis, G. Rumbles, A. A Popov, Y.-S. Chen, X.-B. Wang, O. V. Boltalina, S. H Strauss. A faux hawk fullerene with PCBM-like propertiesChem. Sci. 20156, 1801-1815. DOI: 10.1039/C4SC02970D

  4. Q. Deng, K. Junghans, A. A. Popov. Carbide clusterfullerenes with odd number of carbon atoms: molecular and electronic structures of Sc4C@C80, Sc4C@C82, and Sc4C3@C80. Theor. Chem. Acc. 2015134, 10. DOI: 10.1007/s00214-014-1610-6

  5. R. Westerström, A.-C. Uldry, R. Stania, J. Dreiser, C. Piamonteze, M. Muntwiler, F. Matsui, S. Rusponi, H. Brune, S. Yang, A. Popov, B. Büchner, B. Delley, T. Greber. Surface aligned magnetic moments and hysteresis of an endohedral single-molecule magnet on a metal. Phys. Rev. Lett. 2015114, 087201. DOI: 10.1103/PhysRevLett.114.087201

  6. O. V. Boltalina, A. A. Popov, I. V. Kuvychko, N. B. Shustova, S. H. Straus. Perfluoroalkylfullerenes. Chem. Rev. 2015115, 1051-1105. DOI: 10.1021/cr5002595

  7. Y. Zhang, D. Krylov, M. Rosenkranz, S. Schiemenz, A. A. Popov. Magnetic Anisotropy of Endohedral Lanthanide Ions: Paramagnetic NMR Study of MSc2N@C80-Ih with M running through the Whole 4f Row. Chem. Sci. 20156, 2328-2341. DOI: 10.1039/C5SC00154D

  8. Q. Deng, A. A. Popov. Prato and Bingel-Hirsch cycloaddition to heptagon-containing LaSc2N@Cs(hept)-C80: importance of pentalene unit. Chem. Commun. 201551, 5637-5640. DOI: 10.1039/C5CC00296F

  9. T. Wei, F. Liu, S. Wang, X. Zhu, A. A. Popov, S. Yang. An Expanded Family of Dysprosium–Scandium Mixed-Metal Nitride Clusterfullerenes: The Role of Lanthanide Metal on the Carbon Cage Size Distribution. Chem. Eur. J. 2015, 21, 5750-5759. DOI: 10.1002/chem.201406265

  10. U. Pfaff, A. Hildebrandt, M. Korb, D. Schaarschmidt, M. Rosenkranz, A. Popov, H. Lang. Five-Membered Heterocycles as Linking Units in Strongly Coupled Homobimetallic Group 8 Metal Half-Sandwich Complexes. Organometallics 201534, 2826-2840. DOI: 10.1021/acs.organomet.5b00104

  11. L. K. San, T. T. Clikeman, C. Dubceac, A. A. Popov, Y.-S. Chen, M. A. Petrukhina, S. H. Strauss, O. V. Boltalina. Corannulene Molecular Rotor with Flexible Perfluorobenzyl Blades: Synthesis, Structure and Properties. Chem. Eur. J. 2015, 21, 9488–9492. DOI: 10.1002/chem.201500465

  12. K. Junghans, C. Schlesier, A. Kostanyan, N. A. Samoylova, Q. Deng, M. Rosenkranz, S. Schiemenz, R. Westerström, T. Greber, B. Büchner, A. A. Popov. Methane as a selectivity booster in the synthesis of endohedral fullerenes: towards selective synthesis of the single molecule magnet Dy2TiC@C80 and its congener Dy2TiC2@C80. Angew. Chem. Int. Ed. 2015, 54 (45), 13411-13415. DOI: 10.1002/anie.201505870.

  13. M. Zalibera, P. Machata, T. T. Clikeman, M. Rosenkranz, S. H. Strauss, O. V. Boltalina, A. A. Popov. 19F NMR-, ESR-, and vis-NIR-spectroelectrochemical study of the unconventional reduction behaviour of perfluoroalkylated fullerene: dimerization of the C70(CF3)10 radical anion. Analyst 2015, 140, 7209-7216. DOI: 10.1039/C5AN01129A

  1. Y. Zhang, A. A. Popov, L. Dunsch. Endohedral Metal or a Fullerene Cage Based Oxidation? Redox Duality of Nitride Clusterfullerenes CexM3−xN@C78–88 (x = 1, 2; M = Sc and Y) Dictated by the Encaged Metals and the Carbon Cage Size. Nanoscale 20146, 1038-1048. DOI: 10.1039/C3NR05433K

  2. A. A. Popov, C. Kästner, M. Krause, L. Dunsch. Carbon Cage Vibrations of M@C82 and M2@C2n (M = La, Ce; 2n = 72, 78, 80): The Role of the Metal Atoms. Fullerenes Nanotubes Carbon Nanostruct. 201422 (1-3)202-214. DOI: 10.1080/1536383X.2013.798729

  3. R. Westerström, J. Dreiser, C. Piamonteze, M. Muntwiler, S. Weyeneth, K. Krämer, S.-X. Liu, S. Decurtins, A. Popov, S. Yang, L. Dunsch, T. Greber. Tunneling, remanence, and frustration in dysprosium-based endohedral single-molecule magnets. Phys. Rev. B 2014, 89, 060406. DOI: 10.1103/PhysRevB.89.060406

  4. J. Zhao, Q. Deng, A. Bachmatiuk, G. Sandeep, A. Popov, J. Eckert, M. H. Rümmeli. Free-Standing Single-Atom-Thick Iron Membranes Suspended in Graphene Pores. Science 2014343 (6176), 1228-1232. DOI: 10.1126/science.1245273

  5. Q. Deng, A. A. Popov. Clusters encapsulated in Endohedral Metallofullerenes: How strained are they? J. Am. Chem. Soc. 2014136 (11), 4257-4264. DOI: 10.1021/ja4122582

  6. A. Svitova, Y. Krupskaya, N. Samoylova, R. Kraus, J. Geck, L. Dunsch, A. A. Popov. Magnetic moments and exchange coupling in nitride clusterfullerenes GdxSc3–xN@C80 (x = 1–3). Dalton Trans. 201443, 7387-7390. DOI: 10.1039/C3DT53367K

  7. L. K. San, E. V. Bukovsky, I. V. Kuvychko, A. A. Popov, S. H. Strauss, O. V. Boltalina. Single-Step Gas-Phase Polyperfluoroalkylation of Naphthalene Leads to Thermodynamic Products. Chem. Eur. J. 2014, 20 (15), 4373-4379. DOI: 10.1002/chem.201304554

  8. B. W. Larson, J. B. Whitaker, A. A. Popov, N. Kopidakis, G. Rumbles, O. V. Boltalina, S. H. Strauss. Thermal [6,6] → [6,6] Isomerization and Decomposition of PCBM (Phenyl-C61-Butyric Acid Methyl Ester). Chem. Mater. 201426 (7), 2361-2367. DOI: 10.1021/cm500594u

  9. A. L. Svitova, K. B. Ghiassi, C. Schlesier, K. Junghans, Y. Zhang, M. M. Olmstead, A. L. Balch, L. Dunsch, A. A. Popov. Endohedral fullerene with μ3-carbido ligand and Titanium-Carbon double bond stabilized inside a carbon cage. Nat. Commun. 20145, 3568. DOI: 10.1038/ncomms4568

  10. Y. Zhang, A. A. Popov. Transition-Metal and Rare-Earth-Metal Redox Couples inside Carbon Cages: Fullerenes Acting as Innocent Ligands. Organometallics 2014, 33 (18), 4537-4549. DOI: 10.1021/om5000387

  11. J. Dreiser, R. Westerström, C. Piamonteze, F. Nolting, S. Rusponi, H. Brune, S. Yang, A. A. Popov, L. Dunsch, T. Greber. X-ray induced demagnetization of single-molecule magnets. Appl. Phys. Lett. 2014105 (3), 032411DOI: 10.1063/1.4891485

  12. Y. Zhang, D. Krylov, S. Schiemenz, M. Rosenkranz, R. Westerström, J. Dreiser, T. Greber, B. Büchner, A. A. Popov. Cluster-size dependent internal dynamics and magnetic anisotropy of Ho ions in HoM2N@C80 and Ho2MN@C80 families (M = Sc, Lu, Y). Nanoscale 20146 (19), 11431-11438. DOI: 10.1039/C4NR02864C

  13. J. Dreiser, R. Westerström, Y. Zhang, A. A. Popov, L. Dunsch, K. Krämer, S.-X. Liu, S. Decurtins, T. Greber. The Metallofullerene Field-Induced Single-Ion Magnet HoSc2N@C80. Chem. Eur. J. 201420 (42), 13536-13540. DOI: 10.1002/chem.201403042

  14. A. A. Popov, A. D. Pykhova, I. N. Ioffe, F.-F. Li, L. Echegoyen. Anion radicals of isomeric [5,6] and [6,6] benzoadducts of Sc3N@C80: remarkable differences in endohedral cluster spin density and dynamics. J. Am. Chem. Soc. 2014136 (38), 13435-13441. DOI: 10.1021/ja507607k

  1. B. Elliott, A. D. Pykhova, J. Rivera, C. Cardona, L. Dunsch, A. A. Popov, L. Echegoyen. Spin Density and Cluster Dynamics in Sc3N@C80 upon [5,6] Exohedral Functionalization: An ESR and DFT Study. J. Phys. Chem. C 2013, 117 (5), 2344-2348. DOI: 10.1021/jp310024u

  2. T. T. Clikeman, I. V. Kuvychko, N. B. Shustova, Y.-S. Chen, A. A. Popov, O. V. Boltalina, S. H. Strauss. Regioselective Sequential Additions of Nucleophiles and Electrophiles to Perfluoroalkylfullerenes: Which Cage C Atoms Are the Most Reactive and WhyChem. Eur. J. 2013, 19 (16), 5070-5080. DOI: 10.1002/chem.201203571

  3. A. Svitova, A. A. Popov, L. Dunsch. Gd/Sc-based Mixed Metal Nitride Cluster Fullerenes: The Mutual Influence of the Cage and Cluster Size and the Role of Sc in the Electronic Structure. Inorg. Chem. 201352 (6), 3368-3380. DOI: 10.1021/ic400049k

  4. S. M. Avdoshenko, P. Koskinen, H. Sebincli, A. A. Popov, C. G. Rocha. Topological Signatures in the Electronic Structure of Graphene Spirals. Sci. Rep. 20133, 1632. DOI: 10.1038/srep01632

  5. A. A. Popov, S. Yang, L. Dunsch. Endohedral Fullerenes. Chem. Rev. 2013113 (8), 5989–6113DOI: 10.1021/cr300297r

  6. I. V. Kuvychko, C. Dubceac, S. H. M. Deng, X. B. Wang, A. A. Granovsky, A. A. Popov, M. A. Petrukhina, S. H. Strauss, O. V. Boltalina. C20H4(C4F8)3: A Fluorine-Containing Annulated Corannulene that Is a Better Electron Acceptor Than C60. Angew. Chem. Int. Ed. 201352 (29), 7505-7508. DOI: 10.1002/anie.201300796

  7. B. W. Larson, J. B. Whitaker, A. A. Popov, X.-B. Wang, G. Rumbles, N. Kopidakis, S. H. Strauss, O. V. Boltalina. Electron Affinity of Phenyl-C61-Butyric Acid Methyl Ester (PC61BM). J. Phys. Chem. C 2013117 (29), 14958-14964. DOI: 10.1021/jp403312g

  8. Y. Zhang, S. Schiemenz, A. A. Popov, L. Dunsch. Strain-Driven Endohedral Redox Couple CeIV/CeIII in Nitride Clusterfullerenes CeM2N@C80 (M = Sc, Y, Lu). J. Phys. Chem. Lett. 20134, 2404-2409. DOI: 10.1021/jz4009773

  9. K. P. Castro, Y. Jin, J. J. Rack, S. H. Strauss, O. V. Boltalina, A. A. Popov. Perfluoroalkyl [70]-Fullerenes as Robust Highly-Luminescent Fluorocarbons, or Position of One CF3 Group Matters! J. Phys. Chem. Lett. 20134, 2500-2507. DOI: 10.1021/jz401068t

  10. T. T. Clikeman, S. H. M. Deng, S. Avdoshenko, X.-B. Wang, A. A. Popov, S. H. Strauss, O. V. Boltalina. Fullerene “Superhalogen” Radicals: the Substituent Effect on Electronic Properties of 1,7,11,24,27-C60X5Chem. Eur. J. 201319 (45), 15404-15409. DOI: 10.1002/chem.201301234

  1. E. V. Bukovsky, S. R. Fiedler, D. V. Peryshkov, A. A. Popov, O. P. Anderson, S. H. Strauss. The Structure of (H3O)2B12F12.6H2O, a CCP Lattice of B12F122− Anions Intercalated with a Non-Planar Moguled Network of O–H...O Connected O6 Rings.  Eur. J. Inorg. Chem. 2012, (2), 208-212. DOI: 10.1002/ejic.201101118

  2. C. Chen, F. Liu, S. Li, N. Wang, A. A. Popov, M. Jiao, T. Wei, Q. Li, L. Dunsch, S. Yang. Titanium/Yttrium Mixed Metal Nitride Clusterfullerene TiY2N@C80: Synthesis, Isolation, and Effect of the Group-III Metal. Inorg. Chem. 201251 (5), 3039–3045. DOI: 10.1021/ic202354u

  3. I. Kuvychko, J. Whitaker, B. Larson, T. Folsom, N. B. Shustova, S. Avdoshenko, Y.-S. Chen, H. Wen, X.-B. Wang, L. Dunsch, A. A. Popov, S. H. Strauss, O. V. Boltalina. Substituent effects in a series of 1,7-C60(RF)2 compounds (RF = CF3, C2F5n-C3F7i-C3F7n-C4F9s-C4F9n-C8F17): electron affinities, reduction potentials and E(LUMO) values are not always correlatedChem. Sci. 20123 (5), 1399-1407. DOI: 10.1039/C2SC01133F

  4. I. V. Kuvychko, S. N. Spisak, Y.-S. Chen, A. A. Popov, M. A. Petrukhina, S. H. Strauss, O. V. Boltalina. A Buckybowl with a Lot of Potential: C5-C20H5(CF3)5Angew. Chem. Int. Ed. 201251 (20), 4939–4942. DOI: 10.1002/anie.201200178

  5. R. Westerström, J. Dreiser, C. Piamonteze, M. Muntwiler, S. Weyeneth, H. P. Brune, S. Rusponi, F. Nolting, A. A Popov, S. Yang, L. Dunsch, T. Greber. An endohedral single-molecule magnet with long relaxation times: DySc2N@C80J. Am. Chem. Soc. 2012134 (24), 9840–9843. DOI: 10.1021/ja301044p

  6. Y. Zhang, A. A. Popov, S. Schiemenz, L. Dunsch. Synthesis, Isolation and Spectroscopic Characterization of Holmium-Based Mixed-Metal Nitride Clusterfullerenes: HoxSc3−xN@C80 (x=1, 2)Chem. Eur. J. 201218 (31), 9691-9698. DOI: 10.1002/chem.201200574

  7. A. A. Popov, S. M. Avdoshenko, A. M. Pendás, L. Dunsch. Bonding between strongly repulsive metal atoms: an oxymoron made real in a confined space of endohedral metallofullerenesChem. Commun. 201248, 8031-8050. DOI: 10.1039/C2CC32568C

  8. A. A. Popov, N. Chen, J. R. Pinzón, S. Stevenson, L. A. Echegoyen, L. Dunsch. A redox-active scandium-oxide cluster inside a fullerene cage: Spectroscopic, voltammetric, ESR spectroelectrochemical and extended DFT study of Sc4O2@C80 and its ion-radicalsJ. Am. Chem. Soc. 2012134 (48), 19607–19618. DOI: 10.1021/ja306728p

  9. T. Huang, J. Zhao, M. Feng, A. A. Popov, S. Yang, L. Dunsch, H. Petek. A multi-state single-molecule switch actuated by rotation of an encapsulated cluster within a fullerene cage. Chem. Phys. Lett. 2012552, 1-12. DOI: 10.1016/j.cplett.2012.09.064

  10. A. Svitova, K. Braun, A. A. Popov, L. Dunsch. A Platform for Specific Delivery of Lanthanide–Scandium Mixed-Metal Cluster Fullerenes into Target CellsChem. Open 2012, 1 (5), 207-210. DOI: 10.1002/open.201200023

  11. I. Ibrahim, A. Bachmatiuk, D. Grimm, A. Popov, S. Makharza, M. Knupfer, B. Büchner, G. Cuniberti, M. H. Rümmeli. Understanding high yield catalyst-free growth of horizontally aligned single walled carbon nanotubes nucleated by activated C60 species. ACS Nano 2012(12), 10825-10834. DOI: 10.1021/nn304189y

  1. N. B. Shustova, I. V. Kuvychko, D. V. Peryshkov, J. B. Whitaker, B. W. Larson, Y.-S. Chen, L. Dunsch, K. Seppelt, A. A. Popov, S. H. Strauss, O. V. Boltalina. Chemical tailoring of fullerene acceptors: synthesis, structures and electrochemical properties of perfluoroisopropylfullerenesChem. Commun. 201147, 875-877. DOI: 10.1039/C0CC03247F

  2. N. B. Shustova, D. V. Peryshkov, I. V. Kuvychko, Y.-S. Chen, M. A. Mackey, C. E. Coumbe, D. T. Heaps, B. S. Confait, T. Heine, J. P. Phillips, S. Stevenson, L. Dunsch, A. A. Popov, S. H. Strauss, O. V. Boltalina. Poly(perfluoroalkylation) of Metallic Nitride Fullerenes Reveals Addition-Pattern Guidelines: Synthesis and Characterization of a Family of Sc3N@C80(CF3)n (n = 2−16) and Their Radical AnionsJ. Am. Chem. Soc. 2011133 (8), 2672–2690. DOI: 10.1021/ja109462j

  3. A. A. Popov, L. Dunsch. Electrochemistry in Cavea: Endohedral Redox Reactions of Encaged Species in FullerenesJ. Phys. Chem. Lett. 2011(7), 786-794. DOI: 10.1021/jz200063k

  4. A. A. Popov, L. Dunsch. Charge controlled changes in the cluster and spin dynamics of Sc3N@C80(CF3)2: the flexible spin density distribution and its impact on ESR spectraPhys. Chem. Chem. Phys. 201113 (19), 8977-8984. DOI: 10.1039/C0CP02070B

  5. N. B. Shustova, I. V. Kuvychko, A. A. Popov, M. von Delius, L. Dunsch, O. P. Anderson, A. Hirsch, S. H. Strauss, O. V. Boltalina. Nitrogen Directs Multiple Radical Additions to the 9,9′-Bi-1-aza(C60-Ih)[5,6]fullerene: X-ray Structure of 6,9,12,15,18-C59N(CF3)5Angew. Chem. Int. Ed. 201150 (24), 5537-5540. DOI: 10.1002/anie.201101227

  6. A. A. Popov, S. M. Avdoshenko, G. Cuniberti, L. Dunsch. Dimerization of Radical-Anions: Nitride Clusterfullerenes vs Empty FullerenesJ. Phys. Chem. Lett. 20112, 1592-1600. DOI: 10.1021/jz200586v

  7. I. V. Kuvychko, N. B. Shustova, S. M. Avdoshenko, A. A. Popov, S. H. Strauss, O. V. Boltalina. In Search of Fullerene-Based Superacids: Synthesis, X-ray structure and DFT study of C60(C2F5)5HChem. Eur. J. 201117, 8799-8802. DOI: 10.1002/chem.201101328

  8. A. A. Popov, S. Schiemenz, S. M. Avdoshenko, S. Yang, G. Cuniberti, L. Dunsch. The State of Asymmetric Nitride Clusters in Endohedral Fullerenes as Studied by 14N-NMR Spectroscopy: Experiment and TheoryJ. Phys. Chem. C 2011, 115, 15257–15265. DOI: 10.1021/jp204290f

  9. A. A. Popov, S. Jeon, V. M. Senyavin, L. Dunsch, S. Maragani, M. Wang, L.-S. Tan, L. Y. Chian. Unique Ultralow 18π-Trannulenyl HOMO–LUMO Energy Gap of Photostable Emerald-Green D3d-2-Methylmalonato[60]fullerenes. J. Phys. Chem. Lett. 20112, 2296–2299. DOI: 10.1021/jz200978f

  10. I. Ibrahim, A. Bachmatiuk, M. H. Rümmeli, U. Wolff, A. Popov, O. Boltalina, B. Büchner, G. Cuniberti. Growth of catalyst-assisted and catalyst-free horizontally aligned single wall carbon nanotubes. phys. stat. solidi (b) 2011248 (11), 2467–2470. DOI: 10.1002/pssb.201100073

  11. S. M. Avdoshenko, I. N. Ioffe, G. Cuniberti, L. Dunsch, A. Popov. Organometallic Complexes of Graphene: Towards Atomic Spintronics Using Graphene Web. ACS Nano 20115(12), 9939-9949. DOI: 10.1021/nn203719a

  12. T. Huang, J. Zhao, M. Feng, A. A. Popov, S. Yang, L. Dunsch, H. Petek. A molecular switch based on current-driven rotation of an encapsulated cluster within a fullerene cageNano Lett. 201111, 5327-5332. DOI: 10.1021/nl2028409

  1. N. B. Shustova, Z. Mazej, Y.-S. Chen, A. A. Popov, S. H. Strauss, O. V. Boltalina. Saturnene Revealed: X-ray Crystal Structure of D5d-C60F20 Formed in Reactions of C60 with AxMFy Fluorinating Agents (A=Alkali Metal; M=3d Metal)Angew. Chem. Int. Ed. 201049, 812-815. DOI: 10.1002/anie.200905832

  2. X.-B. Wang, C. Chi, I. V. Kuvychko, K. Seppelt, A. A. Popov, S. H. Strauss, O. V. Boltalina, L.-S. Wang. Photoelectron Spectroscopy of C60Fn and C60Fm2– (n = 17, 33, 35, 43, 45, 47; m = 34, 46) in the Gas Phase and the Generation and Characterization of C1-C60F47 and D2-C60F44 in SolutionJ. Phys. Chem. A 2010114, 1756-1765. DOI: 10.1021/jp9097364

  3. A. A. Popov, L. Zhang, L. Dunsch. A pseudoatom in a cage: trimetallofullerene Y3@C80 mimics Y3N@C80 with nitrogen substituted by a pseudoatomACS Nano 20104(2), 795-802. DOI: 10.1021/nn901422z

  4. L. Dunsch, S. Yang, L. Zhang, A. Svitova, S. Oswald, A. A. Popov. Metal Sulfide in a C82 Fullerene Cage: A New Form of Endohedral ClusterfullerenesJ. Am. Chem. Soc. 2010132, 5413-5421. DOI: 10.1021/ja909580j

  5. N. Chen, S. Klod, P. Rapta, A. A. Popov, L. Dunsch. Direct Arc-Discharge Assisted Synthesis of C60H2(C3H5N): A cis-1-Pyrrolino C60 Fullerene Hydride with Unusual Redox PropertiesChem. Mater. 201022 (8), 2608-2615. DOI: 10.1021/cm903870v

  6. A. Vargová, A. A. Popov, P. Rapta, B. Sun, L. Zhang, L. Dunsch. Electrochemical Tuning of Spin States of the Endohedral Metallofullerene Y@C82 as Probed by ESR SpectroelectrochemistryChemPhysChem2010, 11, 1650-1653. DOI: 10.1002/cphc.200901015

  7. A. A. Popov, N. B. Shustova, A. L. Svitova, M. A. Mackey, C. E. Coumbe, J. P. Phillips, S. Stevenson, S. H. Strauss, O. V. Boltalina, L. Dunsch. Redox tuning endohedral fullerene spin states. From the dication to the trianion radical of Sc3N@C80(CF3)2 in five reversible single-electron stepsChem. Eur. J. 2010, 16 (16), 4721-4724. DOI: 10.1002/chem.201000205

  8. I. V. Kuvychko, A. V. Streletskii, N. B. Shustova, K. Seppelt, T. Drewello, A. A. Popov, S. H. Strauss, O. V. Boltalina. Soluble Chlorofullerenes C60Cl2,4,6,8,10. Synthesis, Purification, Compositional Analysis, Stability, and Experimental/Theoretical Structure Elucidation, Including the X-ray Structure of C1-1,2,7,10,14,24,25,28,29,31-C60Cl10J. Am .Chem. Soc. 2010132 (18), 6443-6462. DOI: 10.1021/ja1005256

  9. L. Zhang, A. A. Popov, S. Yang, S. Klod, P. Rapta, L. Dunsch. An endohedral redox system in a fullerene cage: the Ce based mixed-metal cluster fullerene Lu2CeN@C80Phys. Chem. Chem. Phys. 2010, 12, 7840-7847. DOI: 10.1039/c002918a.

  10. A. A. Popov, C. Chen, S. Yang, F. Lipps, L. Dunsch. The Spin-Flow Vibrational Spectroscopy of Molecules with Flexible Spin Density: Electrochemistry, ESR, Cluster and Spin Dynamics, and Bonding in TiSc2N@C80ACS Nano 2010(8), 4857-4871. DOI: 10.1021/nn101115d

  11. A. A. Popov, I. E. Kareev, N. B. Shustova, S. H. Strauss, O. V. Boltalina, L. Dunsch. Unraveling the Electron Spin Resonance Pattern of Nonsymmetric Radicals with 30 Fluorine Atoms: Electron Spin Resonance and Vis−Near-Infrared Spectroelectrochemistry of the Anion Radicals and Dianions of C60(CF3)2n (2n = 2–10) Derivatives and Density Functional Theory-Assisted AssignmentJ. Am. Chem. Soc. 2010132 (33), 11709-11721. DOI: 10.1021/ja1043775

  12. D. Peryshkov, A. A. Popov, S. H. Strauss. Latent Porosity in Potassium Dodecafluoro-closo-dodecaborate(2−). Structures and Rapid Room Temperature Interconversions of Crystalline K2B12F12, K2(H2O)2B12F12, and K2(H2O)4B12F12 in the Presence of Water VaporJ. Am .Chem. Soc. 2010132 (39), 13902-13913. DOI: 10.1021/ja105522d

  13. N. B. Shustova, I. E. Kareev, I. V. Kuvychko, J. B. Whitaker, S. F. Lebedkin, A. A. Popov, L. Dunsch, Y.-S. Chen, K. Seppelt, S. H. Strauss, O. V. Boltalina. High-temperature and photochemical syntheses of C60 and C70 fullerene derivatives with linear perfluoroalkyl chainsJ. Fluor. Chem. 2010131, 1198-1212. DOI: 10.1016/j.jfluchem.2010.08.001

  14. I. V. Kuvychko, A. A. Popov, A. V. Streletskii, L. C. Nye, T. Drewello, S. H. Strauss, O. V. Boltalina. Dynamic HPLC study of C70 chlorination reveals a surprisingly selective synthesis of C70Cl8Chem. Commun. 201046, 8204-8206. DOI: 10.1039/C0CC03134H

  1. A. A. Popov, A. V. Burtsev, V. M. Senyavin, L. Dunsch, S. I. Troyanov. Spectroscopic and Theoretical Study of the Dimeric Dicationic Fullerene Complex [(C70)2]2+(Ti3Cl13)2J. Phys. Chem. A 2009113 (1), 263-272. DOI: 10.1021/jp805264q

  2. A. A. Popov, V. M. Senyavin, V. I. Korepanov, I. V. Goldt, A. M. Lebedev, V. G. Stankevich, K. A. Menshikov, N. Yu. Svechnikov, O. V. Boltalina, I. E. Kareev, S. Kimura, O. Sidorova, K. Kanno, I. Akimoto. Vibrational, electronic, and vibronic excitations of polar C60F18 molecules: Experimental and theoretical studyPhys. Rev. B 200979 (4), 045413. DOI: 10.1103/PhysRevB.79.045413

  3. A. A. Popov. Metal-Cage Bonding, Molecular Structures and Vibrational Spectra of Endohedral Fullerenes: Bridging Experiment and Theory. J. Comput. Theor. Nanosci. 2009(2), 292-317. DOI: 10.1166/jctn.2009.1037

  4. M. Zalibera, P. Rapta, A. A. Popov, L. Dunsch. Charged States of Four Isomers of C84 Fullerene: In Situ ESR and Vis−NIR Spectroelectrochemistry and DFT CalculationsJ. Phys. Chem. C 2009113 (13), 5141-5149. DOI: 10.1021/jp811274g

  5. S. Yang, A. A. Popov, C. Chen, L. Dunsch. Mixed Metal Nitride Clusterfullerenes in Cage Isomers: LuxSc3−xN@C80 (x = 1, 2) As Compared with MxSc3−xN@C80 (M = Er, Dy, Gd, Nd)J. Phys. Chem. C 2009113 (18), 7616-7623. DOI: 10.1021/jp9005263

  6. A. A. Popov, S. Yang, M. Kalbac, P. Rapta, L. Dunsch. Electronic Structure of Sc3N@C68 in Neutral and Charged States: An Experimental and TD-DFT Study. In AIP Conf. Proc. 1148 Computational Methods in Science and Engineering, Advances in Computational Science, T. E. Simos and G. Maroulis (Editors), 2009, pp 712-715. DOI: 10.1063/1.3225413

  7. A. A. Popov, L. Dunsch. Bonding in Endohedral Metallofullerenes as Studied by Quantum Theory of Atoms in MoleculesChem. Eur. J. 200915 (38), 9707-9729. DOI: 10.1002/chem.200901045

  8. S. Yang, C. Chen, A. A. Popov, W. Zhang, F. Liu, L. Dunsch. An endohedral titanium(III) in a clusterfullerene: putting a non-group-III metal nitride into the C80-Ih fullerene cage. Chem. Commun2009, 6391-6393. DOI: 10.1039/B803200A

  9. N. B. Shustova, Y.-S. Chen, M. A. Mackey, C. E. Coumbe, J. P. Phillips, S. Stevenson, A. A. Popov, O. V. Boltalina, S. H. Strauss. Sc3N@(C80-Ih(7))(CF3)14 and Sc3N@(C80-Ih(7))(CF3)16. Endohedral Metallofullerene Derivatives with Exohedral Addends on Four and Eight Triple-Hexagon Junctions. Does the Sc3N Cluster Control the Addition Pattern or Vice Versa? J. Am. Chem. Soc. 2009131 (48), 17630-17637. DOI: 10.1021/ja9069216

  10. D. V. Peryshkov, A. A. Popov, S. H. Strauss. Direct Perfluorination of K2B12H12 in Acetonitrile Occurs at the Gas Bubble−Solution Interface and Is Inhibited by HF. Experimental and DFT Study of Inhibition by Protic Acids and Soft, Polarizable AnionsJ. Am. Chem. Soc. 2009131 (51), 18393-18403. DOI: 10.1021/ja9069437

  1. S. Yang, A. A. Popov, M. Kalbac, L. Dunsch. The Isomers of Gadolinium Scandium Nitride Clusterfullerenes GdxSc3-xN@C80 (x=1, 2) and Their Influence on Cluster StructureChem. Eur. J. 200814 (7), 2084-2092. DOI: 10.1002/chem.200701598

  2. A. A. Popov, N. B. Shustova, O. V. Boltalina, S. H. Strauss, L. Dunsch. ESR-Vis/NIR Spectroelectrochemical Study of C70(CF3)2−. and C70(C2F5)2−. Radical AnionsChemPhysChem 20089 (3), 431-438. DOI: 10.1002/cphc.200700708

  3. S. Yang, A. A. Popov, L. Dunsch. Large mixed metal nitride clusters encapsulated in a small cage: the confinement of the C68-based clusterfullerenesChem. Commun2008, 2885-2887. DOI: 10.1039/B803200A

  4. P. Rapta, A. A. Popov, S. Yang, L. Dunsch. The Charged States of Sc3N@C68: An in situ Spectroelectrochemical Study of the Radical Cation and Radical Anion of a Non-IPR FullereneJ. Phys. Chem. A 2008112 (26), 5858-5865. DOI: 10.1021/jp802655f

  5. I. E. Kareev, I. V. Kuvychko, N. B. Shustova, S. F. Lebedkin, V. P. Bubnov, O. P. Anderson, A. A. Popov, O. V. Boltalina, S. H. Strauss. C1-(C84-C2(11))(CF3)12: Trifluoromethylation Yields Structural Proof of a Minor C84 Cage and Reveals a Principle of Higher Fullerene Reactivity. Angew. Chem. Int. Ed. 200847, 6204-6207. DOI: 10.1002/anie.200801777

  6. M. Zalibera, A. A. Popov, M. Kalbac, P. Rapta, L. Dunsch. The Extended Protocol of the empty C82:3 fullerene cage: Isolation, Structure, Spectroscopy, Electrochemistry, Spectroelectrochemistry and DFT CalculationsChem. Eur. J. 200814 (32), 9960-9967. DOI: 10.1002/chem.200800591

  7. S. Yang, A. A. Popov, L. Dunsch. Carbon Pyramidalization in Fullerene Cages Induced by the Endohedral Cluster: the First Non-Scandium Mixed Metal Nitride Clusterfullerenes. Angew. Chem. Int. Ed. 200847, 8196-8200. DOI: 10.1002/anie.200802009

  8. I. E. Kareev, A. A. Popov, I. V. Kuvychko, N. B. Shustova, S. F. Lebedkin, V. P. Bubnov, O. P. Anderson, K. Seppelt, S. H. Strauss, O. V. Boltalina. Synthesis and X-ray or NMR/DFT Structure Elucidation of Twenty-One New Trifluoromethyl Derivatives of Soluble Cage Isomers of C76, C78, C84, and C90J. Am. Chem. Soc2008130, 13471-13489. DOI: 10.1021/ja8041614

  9. A. A. Popov, L. Dunsch. Hindered Cluster Rotation and 45Sc Hyperfine Splitting Constant in Distonoid Anion-Radical Sc3N@C80, and Spatial Spin-Charge Separation as a General Principle for Anions of Endohedral Fullerenes with Metal-Localized Lowest Unoccupied Molecular OrbitalJ. Am. Chem. Soc2008130 (52), 17726-17742. DOI: 10.1021/ja804226a

  1. S. Yang, A. Popov, L. Dunsch. An Exception to the Isolated Pentagon Rule (IPR): The Endohedral Non-IPR C70 Cage of Sc3N@C70Angew. Chem. Int. Ed. 200746 (8), 1256-1259. DOI: 10.1002/anie.200603281

  2. M. Krause, F. Ziegs, A. A. Popov, L. Dunsch. Entrapped Bonded Hydrogen in a Fullerene: the Five-Atom Cluster Sc3CH in C80ChemPhysChem 20078, 537-540. DOI: 10.1002/cphc.200600363

  3. A. Popov, M. Krause, S. Yang, J. Wong, L. Dunsch. C78 cage isomerism defined by trimetallic nitride cluster size: a computational and vibrational spectroscopic studyJ. Phys. Chem. B 2007111, 3363-3369. DOI: 10.1021/jp068661r

  4. I. E. Kareev, N. B. Shustova, D. V. Peryshkov, S. F. Lebedkin, S. M. Miller, O. P. Anderson, A. A. Popov, O. V. Boltalina, S. H. Strauss. X-ray structure and DFT study of C1-C60(CF3)12. A high-energy, kinetically-stable isomer prepared at 500 °CChem. Commun2007, (16), 1650-1652. DOI: 10.1039/B617489B

  5. A. M. Lebedev, K. A. Menshikov, V. G. Stankevich, N. Yu. Svechnikov, A. A. Popov, O. V.  Boltalina, O. Drozdova, S. Kimura. Polarized IR studies of C60F18 single crystalsDiam. Relat. Mater. 2007, 16 (4-7), 1236-1239. DOI: 10.1016/j.diamond.2006.11.093

  6. N. B. Shustova, B. S. Newell, S. M. Miller, O. P. Anderson, R. D. Bolskar, K. Seppelt, A. A. Popov, O. V. Boltalina, S. H. Strauss. Discovering and Verifying Elusive Fullerene Cage Isomers: Structures of C2-p11-(C74-D3h)(CF3)12 and C2-p11-(C78-D3h(5))(CF3)12Angew. Chem. Int. Ed. 200746 (8), 4111-4114. DOI: 10.1002/anie.200604968

  7. N. B. Shustova, D. V. Peryshkov, A. A. Popov, O. V. Boltalina, S. H. Strauss. 1,6,11,18,24,27,33,51,54,60-Decakis(trifluoromethyl)-1,6,11,18,24,27,33,51,54,60-decahydro(C60-Ih)[5,6]fullerene. Acta Cryst. E 2007, E63, o3129. DOI: 10.1107/S1600536807026128

  8. V. I. Korepanov, A. A. Popov, V. M. Senyavin, M. A. Yurovskaya, E. S. Chernyshova. Infrared spectrum and structure of 2-thienyl-N-methylfulleropyrrolidine. Moscow Univ. ChemBull. 200762, 72-78. DOI: 10.3103/S0027131407020034 (В. И. Корепанов, А. А. Попов, В. М. Сенявин, М. А. Юровская, Э. С. Чернышова. ИК спектр и структура 2-тиенил-N-метил-фуллеренопирролидина. Вестн. Моск. Ун-та. Сер. 2. Химия 200748 (2), 86-94).

  9. A. A. Popov, I. E. Kareev, N. B. Shustova, E. B. Stukalin, S. F. Lebedkin, K. Seppelt, S. H. Strauss, O. V. Boltalina, L. Dunsch. Electrochemical, Spectroscopic, and DFT Study of C60(CF3)n Frontier Orbitals (n = 2-18): The Link between Double Bonds in Pentagons and Reduction PotentialsJ. Am. Chem. Soc. 2007129 (37), 11551-11568. DOI: 10.1021/ja073181e

  10. N. B. Shustova, A. A. Popov, M. A. Mackey, C. E. Coumbe, J. P. Phillips, S. Stevenson, S. H. Strauss, O. V. Boltalina. Radical Trifluoromethylation of Sc3N@C80J. Am. Chem. Soc. 2007129 (38), 11676-11677. DOI: 10.1021/ja074332g

  11. A. A. Popov, L. Dunsch. Structure, Stability, and Cluster-Cage Interactions in Nitride Clusterfullerenes M3N@C2n (M = Sc, Y; 2n = 68-98): a Density Functional Theory StudyJ. Am. Chem. Soc. 2007129 (38), 11835-11549. DOI: 10.1021/ja073809l

  12. Y. Kobayashi, A. A. Popov, S. M. Miller, O. P. Anderson, S. H. Strauss. Synthesis and Structure of Ag(1-Me-12-SiPh3-CB11F10): Selective F12 Substitution in 1-Me-CB11F11- and the First Ag(arene)4+ TetrahedronInorg. Chem. 200746 (21), 8505-8507. DOI: 10.1021/ic701606p

  13. S. Yang, A. A. Popov, L. Dunsch. The Role of an Asymmetric Nitride Cluster on a Fullerene Cage: The Non-IPR Endohedral DySc2N@C76. J. Phys. Chem. B 2007, 111 (49), 13659-13663. DOI: 10.1021/jp709650d

  14. A. A. Popov, I. E. Kareev, N. B. Shustova, S. F. Lebedkin, S. H. Strauss, O. V. Boltalina, L. Dunsch. Synthesis, Spectroscopic and Electrochemical Characterization, and DFT Study of Seventeen C70(CF3)n Derivatives (n = 2, 4, 6, 8, 10, 12)Chem. Eur. J. 200714 (1), 107-121. DOI: 10.1002/chem.200700970

  1. E. I. Dorozhkin, D. V. Ignat’eva, N. B. Tamm, A. A. Goryunkov, P. A. Khavrel, I. N. Ioffe, A. A. Popov, I. V. Kuvychko, A. V. Streletskiy, V. Y. Markov, J. Spandl, S. H. Strauss, O. V. Boltalina. Synthesis, Characterization, and Theoretical Study of Stable Isomers of C70(CF3)n (n = 2, 4, 6, 8, 10)Chem. Eur. J. 200612, 3876–3889. DOI: 10.1002/chem.200501346

  2. Y. Kobayashi, S. V. Ivanov, A. A. Popov, S. M. Miller, O. P. Anderson, K. A. Solntsev, S. H. Strauss. Tetrabutylammonium salt of the B24F224– anion. Two B12F112– icosahedra linked by a 2c-2e B-B bond and surrounded by a sheath of CH···FB hydrogen bondsHeteroatom Chemistry 200617 (3), 181-187. DOI: 10.1002/hc.20220

  3. I. E. Kareev, S. F. Lebedkin, A. A. Popov, S. M. Miller, O. P. Anderson, S. H. Strauss, O. V. Boltalina. 1,6,12,15,18,23,25,41,45,57-Decakis(trifluoromethyl)-1,6,12,15,18,23,25,41,45,57-decahydro(C60Ih)[5,6]fullereneActa Cryst. E 2006, E62, o1501–o1503. DOI: 10.1107/S1600536806008300

  4. A. A. Popov, V. M. Senyavin, S. I. Troyanov. Electronic Structure and Spectroscopic Studies of D3d-C60Cl30, a Chlorofullerene with a [18]Trannulene Ring, and Its Relation to Other [18]TrannulenesJ. Phys. Chem. A. 2006110(23), 7414-7421. DOI: 10.1021/jp060522m

  5. A. A. Popov, V. M. Senyavin, O. V. Boltalina, K. Seppelt, J. Spandl, C. S. Feigerle, R. N. Compton. Infrared, Raman, and DFT Vibrational Spectroscopic Studies of C60F36 and C60F48J. Phys. Chem. A 2006110(28), 8645-8652. DOI: 10.1021/jp060697w

  6. M. Krause, A. Popov, L. Dunsch. Vibrational Structure of Endohedral Fullerene Sc3N@C78 (D3h’) – Evidence for a Strong Coupling between the Sc3N cluster and C78 CageChemPhysChem 20067 (8), 1734-1740. DOI: 10.1002/cphc.200600139

  7. S. Yang, M. Kalbac, A. Popov, L. Dunsch. Gadolinium-Based Mixed-Metal Nitride Clusterfullerenes GdxSc3-xN@C80 (x=1, 2)ChemPhysChem 2006, 7 (9), 1990-1995. DOI: 10.1002/cphc.200600323

  8. M. V. Korobov, A. G. Bogachev, V. M. Senyavin, A. A. Popov, V. A. Davydov, A. V. Rakhmanina, A. V. Markin. Equilibrium Phase Diagram of Polymerized C60 and Kinetics of Decomposition of the Polymerized Phases. Fullerenes Nanotubes Carbon Nanostr. 200614 (2-3), 401–407. DOI: 10.1080/10407780600665983

  9. S. Yang, M. Kalbac, A. Popov, L. Dunsch. A Facile Route to the Non-IPR Fullerene Sc3N@C68: Synthesis, Spectroscopic Characterization, and Density Functional Theory Computations (IPR=Isolated Pentagon Rule)Chem. Eur. J. 200612, 7856–7863. DOI: 10.1002/chem.200600261

  10. I. E. Kareev. N. B. Shustova, I. V. Kuvychko, S. F. Lebedkin, S. M. Miller, O. P. Anderson, A. A. Popov, S. H. Strauss, O. V. Boltalina, O. V. Thermally Stable Perfluoroalkylfullerenes with the Skew-Pentagonal-Pyramid Pattern: C60(C2F5)4O, C60(CF3)4O, and C60(CF3)6J. Am. Chem. Soc. 2006, 128 (37), 12268-12280. DOI: 10.1021/ja063907r

  11. A. A. Goryunkov, I. E. Kareev, I. N. Ioffe, A. A. Popov, I. V. Kuvychko, V. Y. Markov, I. V. Goldt, A. S. Pimenova, M. G. Serov, S. M. Avdoshenko, P. A. Khavrel, L. N. Sidorov, S. F. Lebedkin, Z. Mazej, B. Žemva, S. H. Strauss, O. V. Boltalina. Reaction of C60 with KMnF4: Isolation and characterization of a new isomer of C60F8 and re-evaluation of the structures of C60F7(CF3) and the known isomer of C60F8J. Fluor. Chem. 2006, 1423-1435. DOI: 10.1016/j.jfluchem.2006.06.016

  12. N. B. Shustova, I. V. Kuvychko, R. D. Bolskar, K. Seppelt, S. H. Strauss, A. A. Popov, O. V. Boltalina. Trifluoromethyl Derivatives of Insoluble Small-HOMO-LUMO-Gap Hollow Higher Fullerenes. NMR and DFT Structure Elucidation of C2-(C74-D3h)(CF3)12Cs-(C76-Td(2))(CF3)12C2-(C78-D3h(5))(CF3)12Cs-(C80-C2v(5))(CF3)12, and C2-(C82-C2(5))(CF3)12J. Am. Chem. Soc. 2006128(49), 15793-15798. DOI: 10.1021/ja065178l

  13. S. Yang, S. I. Troyanov, A. A. Popov, M. Krause, L. Dunsch. Deviation from the Planarity-a Large Dy3N Cluster Encapsulated in an Ih-C80 Cage: An X-ray Crystallographic and Vibrational Spectroscopic StudyJ. Am. Chem. Soc. 2006128, 16733-16739. DOI: 10.1021/ja066814i

  1. S. I. Troyanov, N. B. Shustova, A. A. Popov, L. N. Sidorov, E. Kemnitz. The First Preparation and Structural Characterization of Two Kinetically Stable Chlorofullerenes, C60Cl28 and C60Cl30Angew. Chem. Int. Ed. 200544, 432-435. DOI: 10.1002/anie.200462139

  2. M. V. Korobov, A. G. Bogachev, A. A. Popov, V. M. Senyavin, E. B. Stukalin, A. V. Dzyabchenko, V. A. Davydov, L. S. Kashevarova, A. V. Rakhmanina, V. Agafonov. Relative stability of polymerized phases of C60: Depolymerization of a tetragonal phaseCarbon 200543, 954-961. DOI: 10.1016/j.carbon.2004.11.026

  3. N. B. Shustova, A. A. Popov, L. N. Sidorov, A. P. Turnbull, E. Kemnitz, S. I. Troyanov. Preparation and crystallographic characterization of C60Cl24Chem. Comm. 2005, 1411-1413. DOI: 10.1039/B416341A

  4. A. B. Kolomeisky, E. B. Stukalin, A. A. Popov. Understanding mechanochemical coupling in kinesins using first-passage-time processesPhys. Rev. E 200571, 031902. DOI: 10.1103/PhysRevE.71.031902

  5. S. I. Troyanov, A. A. Popov. New [70]Fullerene Chloride, C70Cl16, Obtained by the Attempted Bromination of C70 in TiCl4Angew. Chem. Int. Ed. 200544, 4215-4218. DOI: 10.1002/anie.200500476

  6. I. V. Kuvychko, A. V. Streletskii, A. A. Popov, S. G. Kotsiris, T. Drewello, S. H. Strauss, O. V. Boltalina. Seven-Minute Synthesis of Pure Cs-C60Cl6 from [60]Fullerene and Iodine Monochloride. First IR, Raman, and Mass Spectra of 99 mol% C60Cl6Chem. Eur. J. 200511 (18), 5426–5436. DOI: 10.1002/chem.200500185

  7. M. R. Erenburg, A. A. Popov, O. A. Semenikhin. Spectroelectrochemical Properties of Some Polymers of Polythiophene SeriesRussian Journal of Electrochemistry 2005, 41 (6), 671–680. (М.Р. Эренбург, А.А. Попов, О.А. Семинихин. Спектроэлектрохимические свойства некоторых полимеров ряда политиофена. Электрохимия 2005, 41(6), 755–765.).

  8. A. A. Popov, J. Tarabek, I. E. Kareev, S. F. Lebedkin, S. H. Strauss, O. V. Boltalina, L. Dunsch. Poly(trifluoromethyl)fullerene Radical Anions. An ESR/Vis-NIR Spectroelectrochemical Study of C60F2,4 and C60(CF3)2,10J. Phys. Chem. A 2005109 (43), 9709-9711. DOI: 10.1021/jp0550006

  9. S. I. Troyanov, N. B. Shustova, A. A. Popov, L. N. Sidorov. Synthesis and Structures of C60 Fullerene ChloridesRuss. Chem. Bull., Int. Ed. 2005, 7, 1656–1666. DOI: 10.1007/s11172-006-0018-4 (С. И. Троянов, Н. Б. Шустова, А. А. Попов, Л. Н. Сидоров. Синтез и строение хлоридов фуллерена С60Изв. Акад. Наук., Сер. Хим. 20057, 1608-1618.)

  10. I. E. Kareev, I. V. Kuvychko, A. A. Popov, S. F. Lebedkin, S. M. Miller, O. P. Anderson, S. H. Strauss, O. V. Boltalina. High-Temperature Synthesis of the Surprisingly Stable C1-C70(CF3)10 Isomer with a para7-meta-para Ribbon of Nine C6(CF3)2 Edge-Sharing HexagonsAngew. Chem. Int. Ed., 200544 (48), 7984-7987. DOI: 10.1002/anie.200502419

  1. J. V. Rau, S. Nunziante Cesaro, O. V. Boltalina, V. Agafonov, A. A. Popov, L. N. Sidorov. Raman and Infrared Spectroscopic Study of C60F18, C60F36 and C60F48Vibrational Spectroscopy 2004, 34, 137-147. DOI: 10.1016/j.vibspec.2003.05.003

  2. A. A. Popov, V. M. Senyavin, A. A. Granovsky. Vibrations of Bromofullerene C60Br24: C60 Cage Confined Into Static Bromine SphereChem. Phys. Lett. 2004383, 149-155. DOI: 10.1016/j.cplett.2003.10.144

  3. V. I. Korepanov, A. A. Popov, V. M. Senyavin, M. Reinov, M. A. Yurovskaya. Infrared Spectra and Structure of C60 Heterocyclic DerivativesFullerenes Nanotubes Carbon Nanostr. 200412, 209-213. DOI: 10.1081/FST-120027158

  4. V. M. Senyavin, A. A. Popov, A. A. Granovsky, V. A. Davydov, V. N. Agafonov. Ab initio and DFT-Based Assignment of the Vibrational Spectra of Polymerized FullerenesFullerenes Nanotubes Carbon Nanostr. 200412, 253-258. DOI: 10.1081/FST-120027165

  5. A. A. Popov, V. M. Senyavin, A. A. Granovsky. Vibrational Spectra of Chloro- and BromofullerenesFullerenes Nanotubes Carbon Nanostr. 200412, 305-310. DOI: 10.1081/FST-120027184

  6. N. I. Denisenko, S. I. Troyanov, A. A. Popov, I. V. Kuvychko, B. Zemva, E. Kemnitz, S. H. Strauss, O. V. Boltalina. Th-C60F24J. Am. Chem. Soc. 2004126, 1618-1619. DOI: 10.1021/ja039361f

  7. S. I. Troyanov, N. B. Shustova, A. A. Popov, M. Feist, E. Kemnitz. Chlorination of C60 and C70 Fullerenes Using SbCl5 and VCl4 ChloridesRuss. J. Inorg. Chem. 200449 (9), 1303–1307. (С. И. Троянов, Н. Б. Шустова, А. А. Попов, М. Файст, Э. Кемниц. Хлорирование фуллеренов C60 и C70 с использованием хлоридов SbCl5 and VCl4Ж. Неорг. Хим. 200449 (9), 1413–1418).

  8. A. A. Popov, A. A. Goryunkov, I. V. Goldt, I. S. Kareev, I. V. Kuvychko, W.−D. Hunnius, K. Seppelt, S. H. Strauss, O. V. Boltalina. Raman, Infrared, and Theoretical Studies of Fluorofullerene C60F20J. Phys. Chem. A 2004108, 11449-11456. DOI: 10.1021/jp046214a

  1. S. I. Troyanov, A. A. Popov, N. I. Denisenko, O. V. Boltalina, L. N. Sidorov, E. Kemnitz. The First X-ray Crystal Structures of Halogenated [70]Fullerene: C70Br10 and C70Br10×3Br2Angew. Chem. Int. Ed. 200342, 2395-2398. DOI: 10.1002/anie.200351132

  2. P. A. Troshin, D. Kolesnikov, A. V. Burtsev, R. N. Lubovskaya, N. I. Denisenko, A. A. Popov, S. I. Troyanov, O. V. Boltalina. Bromination of [60]Fullerene. I. High-Yield Synthesis of C60Brx (x = 6, 8, 24). Fullerenes Nanotubes Carbon Nanostr. 200311, 47-60. DOI: 10.1081/FST-120018666

  3. P. A. Dorozhko, A. S. Lobach, A. A. Popov, V. M. Senyavin, M. V. Korobov. Sublimation of Hydrofullerenes C60H36 and C60H18Chem. Phys. Lett. 2001336, 39-46. DOI: 10.1016/S0009-2614(01)00103-8

  4. R. G. Gasanov, O. G. Kalina, A. A. Popov, P. A. Dorozhko, B. L. Tumanskii. ESR Study of the photolysis of C60Cl6Russ. Chem. Bull. 20004, 753-753. DOI: 10.1007/BF02495497 (Р. Г. Гасанов, О. Г. Калина, А. А. Попов, П. А. Дорожко, Б. Л. Туманский Исследование методом ЭПР фотолиза C60Cl6Изв. Акад. Наук., Сер. Хим. 20004, 752-753).

  5. P. A. Dorozhko, A. A. Popov, M. V. Korobov, B. L. Tumanskii. Stability of Gaseous Fullerene ChloridesChem. Phys. Lett. 1998287, 154-161. DOI: 10.1016/S0009-2614(98)00136-5

Reviews

F. Liu, L. Spree, D. S. Krylov, G. Velkos, S. M. Avdoshenko, A. A. Popov. Single-electron lanthanide-lanthanide bonds inside fullerenes toward robust redox-active molecular magnets.  Acc. Chem. Res. 201952 (10), 2981-2993. DOI: 10.1021/acs.accounts.9b00373

L. Spree, A. A. Popov. Recent advances in single molecule magnetism of dysprosium-metallofullerenesDalton Trans. 2019, 48, 2861. DOI: 10.1039/c8dt05153d

A. A. Popov. Redox-active metal–metal bonds between lanthanides in dimetallofullerenes. Curr. Opin. Electrochem20188, 73-80. DOI: 10.1016/j.coelec.2017.12.003

O. V. Boltalina, A. A. Popov, I. V. Kuvychko, N. B. Shustova, S. H. Strauss. Perfluoroalkylfullerenes. Chem. Rev. 2015, 115, 1051-1105. DOI: 10.1021/cr5002595

Y. Zhang, A. A. Popov. Transition-Metal and Rare-Earth-Metal Redox Couples inside Carbon Cages: Fullerenes Acting as Innocent Ligands. Organometallics 2014, 33(18), 4537-4549. DOI: 10.1021/om5000387

A. A. Popov, S. Yang, L. Dunsch. Endohedral FullerenesChem. Rev. 2013113 (8), 5989–6113DOI: 10.1021/cr300297r

A. A. Popov, S. M. Avdoshenko, A. M. Pendás, L. Dunsch. Bonding between strongly repulsive metal atoms: an oxymoron made real in a confined space of endohedral metallofullerenes. Chem. Commun. 201248, 8031-8050. DOI: 10.1039/C2CC32568C

A. A. Popov, L. Dunsch. Electrochemistry in Cavea: Endohedral Redox Reactions of Encaged Species in FullerenesJ. Phys. Chem. Lett. 2011(7), 786-794. DOI: 10.1021/jz200063k

A. A. Popov. Metal-Cage Bonding, Molecular Structures and Vibrational Spectra of Endohedral Fullerenes: Bridging Experiment and TheoryJ. Comput. Theor. Nanosci. 2009(2), 292-317. DOI: 10.1166/jctn.2009.1037

Book Chapters

In Endohedral Fullerenes: Electron Transfer and Spin. A.A. Popov (Editor). Springer International Publishing, 2017DOI: 10.1007/978-3-319-47049-8

In New Fluorinated Carbons: Fundamentals and Applications. O. V. Boltalina, T. Nakajima (Eds.). Elsevier, 2017.

  • E. V. Bukovsky, B. W. Larson, T. T. Clikeman, Y.-S. Chen, A. A. Popov, O. V. Boltalina, S.H.Strauss. Thirteen Decakis(trifluoromethyl)decahydro(C60-Ih)[5,6]fullerenes (C60(CF3)10): Structures and Structure-Related Properties of the Largest Set of Fullerene(X)n Isomers. Pp. 59-89. DOI: 10.1016/B978-0-12-803479-8.00003-6
  • A. A. Popov. Trifluoromethylated Corannulene Derivatives: Thermodynamic Stability and Electron-Accepting Properties. pp. 91-111. DOI: 10.1016/B978-0-12-803479-8.00004-8

A.A. Popov. Endohedral Clusterfullerenes. in Carbon Nanomaterials Sourcebook: Graphene, Fullerenes, Nanotubes, and NanodiamondsSattler, K. D. (Ed.)  CRC Press, 2016; pp 303-333. link

P. Rapta, E. Dmitrieva, A. A. Popov, L. Dunsch. In Situ Spectroelectrochemistry of Organic Compounds. In Organic Electrochemistry, Fifth Edition, Hammerich, O.; Speiser, B., Eds. CRC Press: 2015; pp 169-190. link

In Endohedral Fullerenes. From Fundamentals to Applications. S. Yang, C.-R. Wang (Eds). World Scientific, 2014

  • T. Wei, S. Wang, F. Liu, J. Guan, A. A. Popov, L. Dunsch, S. Yang. Metal Nitride Clusterfullerenes - New Advances and Challenges. pp. 99-135DOI: 10.1142/9789814489843_0004
  • A. A. Popov. Computational Studies of Endohedral Fullerenes: Bonding, Isomerism, Internal Dynamics, Spectroscopy, and Chemical Reactivity. pp. 315-399. DOI: 10.1142/9789814489843_0012

A. A. Popov. Computational Studies of Endohedral Metallofullerenes in Endohedral Metallofullerenes: Basics and Applications. X. Lu, L. Echegoyen, A. L. Balch, S. Nagase, T. Akasaka (Eds.). CRC Press, 2014link

A. A. Popov. Structures and Stability of Fullerenes, Metallofullerenes, and Their Derivatives in Handbook of Computational Chemistry. J. Leszczynski (Ed.) Springer, 2012, pp. 667-721. DOI: 10.1007/978-94-007-0711-5_19; 2nd edition in 2016DOI: 10.1007/978-94-007-6169-8_19-2

In Strained Hydrocarbons: Beyond the van't Hoff and Le Bel Hypothesis H. Dodzik (Ed.), Wiley-VCH, Weinheim, 2009. DOI: 10.1002/9783527627134

  • O. V. Boltalina, A. A. Popov, S. H. Strauss. Physicochemical Properties and the Unusual Structure of Fullerenes: Single-crystal X-ray Structures of Fullerenes and Their Derivatives. pp. 225-238.
  • A. A. Popov. Physicochemical Properties and the Unusual Structure of Fullerenes: Vibrational and Electronic Spectra. pp. 238-249.

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