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Pure Appl. Chem., 2005, Vol. 77, No. 5, pp. 843-923

http://dx.doi.org/10.1351/pac200577050843

CHEMICAL NOMENCLATURE AND STRUCTURE REPRESENTATION DIVISION

Numbering of Fullerenes (IUPAC Recommendations 2004)

F. Cozzi1, W. H. Powell2* and C. Thilgen3

1 Dipartimento di Chimica Organica e Industriale via Golgi, 19-I-20133, Milano, Italy
2 1436 Havencrest Ct., Columbus, OH 43220, USA
3 Laboratorium für Organische Chemie - ETH Zürich, Wolfgang-Pauli-Strasse 10, CH-8093, Zürich, Switzerland

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  • Maroto Enrique E., de Cózar Abel, Filippone Salvatore, Martín-Domenech Ángel, Suarez Margarita, Cossío Fernando P., Martín Nazario: Hierarchical Selectivity in Fullerenes: Site-, Regio-, Diastereo-, and Enantiocontrol of the 1,3-Dipolar Cycloaddition to C70. Angew Chem 2011, 123, 6184. <http://dx.doi.org/10.1002/ange.201101246>
  • Maroto Enrique E., de Cózar Abel, Filippone Salvatore, Martín-Domenech Ángel, Suarez Margarita, Cossío Fernando P., Martín Nazario: Hierarchical Selectivity in Fullerenes: Site-, Regio-, Diastereo-, and Enantiocontrol of the 1,3-Dipolar Cycloaddition to C70. Angew Chem Int Ed 2011, 50, 6060. <http://dx.doi.org/10.1002/anie.201101246>
  • Dral Pavlo O., Shubina Tatyana E., Hirsch Andreas, Clark Timothy: Influence of Electron Doping on the Hydrogenation of Fullerene C60: A Theoretical Investigation. chem phys chem 2011, 12, 2581. <http://dx.doi.org/10.1002/cphc.201100529>
  • Tulyabaev Arthur R., Khalilov Leonard M.: On accuracy of the 13C NMR chemical shift GIAO calculations of fullerene C60 derivatives at PBE/3ζ approach. COMPUT THEOR CHEM 2011, 976, 12. <http://dx.doi.org/10.1016/j.comptc.2011.07.031>
  • Sawai Koji, Takano Yuta, Izquierdo Marta, Filippone Salvatore, Martín Nazario, Slanina Zdenek, Mizorogi Naomi, Waelchli Markus, Tsuchiya Takahiro, Akasaka Takeshi: Enantioselective Synthesis of Endohedral Metallofullerenes. S J Am Chem Soc 2011, 133, 17746. <http://dx.doi.org/10.1021/ja2062727>
  • Bihlmeier Angela: Derivatives and dimers of C50-D5h and C50-D3: A comparison of two closely related but quite differently behaving fullerenes. Journal of Chem Phys 2011, 135, 044310. <http://dx.doi.org/10.1063/1.3615502>
  • Lanskikh M. A., Belova Yu. M., Tamm N. B., Chang K., Kemnitz E., Troyanov S. I.: Crystal and molecular structures of trifluoromethyl derivatives of fullerenes C76 and C82 . Crystallogr Rep 2011, 56, 1047. <http://dx.doi.org/10.1134/S1063774511050178>
  • Mutig Tatyana, Kemnitz Erhard, Troyanov Sergey I.: Synthesis and molecular structures of heptafluoropropylated fullerenes: C70(n-C3F7)8, C70(n-C3F7)6O, and C70(C3F7)4. J FLUORINE CHEM 2010, 131, 861. <http://dx.doi.org/10.1016/j.jfluchem.2010.05.002>
  • Gruzinskaya Natalia I., Silin Andrey I., Pimenova Anna S., Khavrel Pavel A., Markov Vitaliy Yu., Sidorov Lev N., Kemnitz Erhard, Troyanov Sergey I.: Synthesis and structure of cycloperfluoroalkylated derivatives of C70, C70(C2F4) and C70(C4F8)n, n = 1–6. New J Chem 2010, 34, 243. <http://dx.doi.org/10.1039/b9nj00444k>
  • Sidorov Lev N., Troyanov Sergey I., Samokhvalova Nadezhda A., Khavrel Pavel A., Markov Vitaliy Yu., Samokhvalov Pavel S., Goruynkov Alexey A., Kemnitz Erhard: Isolation and Structural Characterization of the Most Stable, Highly Symmetric Isomer of C60(CF3)18. Eur J Org Chem 2009, 2009, 2935. <http://dx.doi.org/10.1002/ejoc.200900168>
  • Ignat’eva D. V., Mutig T., Goryunkov A. A., Tamm N. B., Kemnitz E., Troyanov S. I., Sidorov L. N.: New C70(CF3) n isomers (n = 12, 14, 16). Realkylation and addend rearrangements. Russ Chem Bull 2009, 58, 1146. <http://dx.doi.org/10.1007/s11172-009-0149-5>
  • Mutig Tatyana, Avdoshenko Stanislav M., Kemnitz Erhard, Troyanov Sergey I.: Synthesis and molecular structures of heptafluoroisopropylated fullerenes: C60(i-C3F7)8, C60(i-C3F7)6, and C60(CF3)2(i-C3F7)2. J FLUORINE CHEM 2009, 130, 241. <http://dx.doi.org/10.1016/j.jfluchem.2008.10.006>
  • Bihlmeier Angela, Klopper Wim: Hydrides and dimers of C58 fullerenes: structures and stabilities. Phys Chem Chem Phys 2009, 11, 1050. <http://dx.doi.org/10.1039/b814256d>
  • Tamm Nadezhda B., Ioffe Ilya N., Kemnitz Erhard, Troyanov Sergey I.: Synthesis and molecular structure of pentafluoroethyl derivatives of C70: C70(C2F5)8 and C70(C2F5)10. Dalton Trans 2009, 2740. <http://dx.doi.org/10.1039/b817829a>
  • Popov Alexey A., Kareev Ivan E., Shustova Natalia B., Lebedkin Sergey F., Strauss Steven H., Boltalina Olga V., Dunsch Lothar: Synthesis, Spectroscopic and Electrochemical Characterization, and DFT Study of Seventeen C70(CF3)n Derivatives (n=2, 4, 6, 8, 10, 12). Chem Eur J 2008, 14, 107. <http://dx.doi.org/10.1002/chem.200700970>
  • Mutig Tatyana, Kemnitz Erhard, Troyanov Sergey I.: Synthesis and Structural Characterization of Four Isomers of C70(n‐C3F7)8. Eur J Org Chem 2008, 2008, 3256. <http://dx.doi.org/10.1002/ejoc.200800302>
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  • Bihlmeier Angela, Tew David P., Klopper Wim: Low energy hydrogenation products of extended π systems C[sub n]H[sub 2x]: A density functional theory search strategy, benchmarked against CCSD(T), and applied to C[sub 60]. J Chem Phys 2008, 129, 114303. <http://dx.doi.org/10.1063/1.2973636>
  • Simeonov Kalin S., Amsharov Konstantin Yu., Jansen Martin: Connectivity of the ChiralD2-Symmetric Isomer of C76 through a Crystal-Structure Determination of C76Cl18⋅TiCl4. Angew Chem 2007, 119, 8571. <http://dx.doi.org/10.1002/ange.200702632>
  • Simeonov Kalin S., Amsharov Konstantin Yu., Jansen Martin: Connectivity of the ChiralD2-Symmetric Isomer of C76 through a Crystal-Structure Determination of C76Cl18⋅TiCl4. Angew Chem Int Ed 2007, 46, 8419. <http://dx.doi.org/10.1002/anie.200702632>
  • Fowler Patrick W., Horspool Daniel, Myrvold Wendy: Vertex Spirals in Fullerenes and Their Implications for Nomenclature of Fullerene Derivatives. Chem Eur J 2007, 13, 2208. <http://dx.doi.org/10.1002/chem.200601107>
  • Tamm N. B., Avdoshenko S. M., Kemnitz E., Troyanov S. I.: Synthesis, structural investigation, and theoretical study of pentaf luoroethyl derivatives of [60]fullerene. Russ Chem Bull 2007, 56, 915. <http://dx.doi.org/10.1007/s11172-007-0139-4>
  • Omelyanyuk Nadezhda A., Goryunkov Alexey A., Tamm Nadezhda B., Avdoshenko Stanislav M., Ioffe Ilya N., Sidorov Lev N., Kemnitz Erhard, Troyanov Sergey I.: New trifluoromethylated derivatives of [60]fullerene, C60(CF3)n with n = 12 and 14. Chem Commun 2007, 4794. <http://dx.doi.org/10.1039/b709684d>
  • Goryunkov Alexey A., Ignat’eva Daria V., Tamm Nadezhda B., Moiseeva Natalia N., Ioffe Ilya N., Avdoshenko Stanislav M., Markov Vitaly Yu., Sidorov Lev N., Kemnitz Erhard, Troyanov Sergey I.: Preparation, Crystallographic Characterization, and Theoretical Study of C70(CF3)14. Eur J Org Chem 2006, 2006, 2508. <http://dx.doi.org/10.1002/ejoc.200600076>
  • Ignat'eva Daria V., Goryunkov Alexey A., Tamm Nadezhda B., Ioffe Ilya N., Avdoshenko Stanislav M., Sidorov Lev N., Dimitrov Anton, Kemnitz Erhard, Troyanov Sergey I.: Preparation, crystallographic characterization and theoretical study of two isomers of C70(CF3)12. Chem Commun 2006, 1778. <http://dx.doi.org/10.1039/b518422c>