C72 isomers: The IPR-satisfying cage is disfavored by both energy and entropy

Chemical Physics Letters

Volumn 384, Issue 1-3, 2004, Pages 114-118

  Slanina, Zdeněk ^a,b   Ishimura, Kazuya ^a   Kobayashi, Kaoru ^a   Nagase, Shigeru ^a  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b INSTITUTE OF CHEMISTRY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; ENERGY; ENTROPY; GEOMETRY; HIGH TEMPERATURE; ISOMER; MATHEMATICAL COMPUTING; PHYSICAL CHEMISTRY;

EID: 0346339715     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2003.11.097     Document Type: Article

References (37)

1. Achiba Y., Kikuchi K., Aihara Y., Wakabayashi T., Miyake Y., Kainosho M. Andreoni W. The Chemical Physics of Fullerenes 10 (and 5) Years Later. 1996;139 Kluwer Academic Publishers, Dordrecht.
2. Mitsumoto R., Oji H., Yamamoto Y., Asato K., Ouchi Y., Shinohara H., Seki K., Umishita K., Hino S., Nagase S., Kikuchi K., Achiba Y. J. Phys. IV. 7:1997;C2-525.
3. Diener M.D., Alford J.M. Nature. 393:1998;668.
4. H. Moribe, T. Inoue, H. Kato, A. Taninaka, Y. Ito, T. Okazaki, T. Sugai, R. Bolskar, J.M. Alford, H. Shinohara, Paper 1P-1, The 25th Fullerene-Nanotubes Symposium, Awaji, Japan, 2003.
5. Kato H., Taninaka A., Sugai T., Shinohara H. J. Am. Chem. Soc. 125:2003;7782.
6. Boltalina O.V., Dashkova E.V., Sidorov L.N. Chem. Phys. Lett. 256:1996;253.
7. Boltalina O.V., Ioffe I.N., Sidorov L.N., Seifert G., Vietze K. J. Am. Chem. Soc. 122:2000;9745.
8. Kobayashi K., Nagase S. Akasaka T., Nagase S. Endofullerenes - A New Family of Carbon Clusters. 2002;155 Kluwer Academic Publishers, Dordrecht.
9. Wan T.S.M., Zhang H.W., Nakane T., Xu Z.D., Inakuma M., Shinohara H., Kobayashi K., Nagase S. J. Am. Chem. Soc. 120:1998;6806.
10. Kobayashi K., Nagase S., Yoshida M., Ōsawa E. J. Am. Chem. Soc. 119:1997;12693.
11. Fowler P.W., Manolopoulos D.E. An Atlas of Fullerenes. 1995;Clarendon Press, Oxford.
12. Slanina Z., Lee S.-L., Kobayashi K., Nagase S. J. Mol. Struct. (Theochem). 312:1994;175.
13. Slanina Z., Zhao X., Deota P., Ōsawa E. J. Mol. Model. 6:2000;312.
14. Slanina Z., Uhlík F., Zhao X., Ōsawa E. J. Chem. Phys. 113:2000;4933.
15. Slanina Z., Zhao X., Uhlík F., Ōsawa E. Kuzmany H., Fink J., Mehring M., Roth S. Electronic Properties of Novel Materials - Science and Technology of Molecular Nanostructures. 1999;179 AIP, Melville.
16. Slanina Z., Zhao X., Deota P., Ōsawa E. Kadish K.M., Ruoff R.S. Fullerenes: Chemistry, Physics, and Technology. 2000;283 J. Wiley, New York.
17. Frisch M.J.et al. GAUSSIAN 98, Revision A9. 1998;Gaussian Inc. Pittsburgh, PA.
18. Kanis D.R., Ratner M.A., Marks T.J., Zerner M.C. Chem. Mater. 3:1991;19.
19. Slanina Z. Int. Rev. Phys. Chem. 6:1987;251.
20. Slanina Z., Uhlík F., Zerner M.C. Rev. Roum. Chim. 36:1991;965.
21. Sun M.-L., Slanina Z., Lee S.-L., Uhlík F., Adamowicz L. Chem. Phys. Lett. 246:1995;66.
22. Slanina Z., Adamowicz L. Thermochim. Acta. 205:1992;299.
23. Nagase S., Kobayashi K., Akasaka T. J. Mol. Struct. (Theochem). 462:1999;97.
24. Cioslowski J. Electronic Structure Calculations on Fullerenes and their Derivatives. 1995;Oxford University Press, Oxford.
25. Slanina Z., Zhao X., Grabuleda X., Ozawa M., Uhlík F., Ivanov P.M., Kobayashi K., Nagase S. J. Mol. Graphics Mod. 19:2001;252.
26. Slanina Z., Kobayashi K., Nagase S. Chem. Phys. Lett. 372:2003;810.
27. Slanina Z., François J.-P., Kolb M., Bakowies D., Thiel W. Fullerene Sci. Technol. 1:1993;221.
28. Furche F., Ahlrichs R. J. Chem. Phys. 114:2001;10362.
29. Z. Slanina, F. Uhlík, K. Kobayashi, S. Nagase (to be published).
30. Hennrich F.H., Michel R.H., Fischer A., Richard-Schneider S., Gilb S., Kappes M.M., Fuchs D., Bürk M., Kobayashi K., Nagase S. Angew. Chem. Int. Ed. Engl. 35:1996;1732.
31. Wang C.-R., Sugai T., Kai T., Tomiyama T., Shinohara H. J. Chem. Soc. Chem. Commun. 557:2000.
32. Slanina Z., Lee S.-L. J. Mol. Struct. (Theochem). 304:1994;173.
33. Sun M.-L., Slanina Z., Lee S.-L. Fullerene Sci. Technol. 3:1995;627.
34. Kovalenko V.I., Khamatgalimov A.R. Chem. Phys. Lett. 377:2003;263.
35. Slanina Z., Zhao X., Kurita N., Gotoh H., Uhlík F., Rudziński J.M., Lee K.H., Adamowicz L. J. Mol. Graphics Mod. 19:2001;216.
36. Chen Z.F., Cioslowski J., Rao N., Moncrieff D., Buhl M., Hirsch A., Thiel W. Theoret. Chem. Acc. 106:2001;364.
37. Slanina Z., Kobayashi K., Nagase S. Guldi D.M., Kamat P.V., D'Sousa F. Fullerenes and Nanotubes: The Building Blocks of Next Generation Nanodevices. vol. 13:2003;582 The Electrochemical Society, Pennington.