A theoretical study on vibrational spectra of C84 fullerenes: Results for C2, D2, and D(2d) isomers

Journal of Molecular Structure: THEOCHEM

Volumn 461-462, Issue , 1999, Pages 453-461

  Nishikawa, Takeshi ^a,c   Kinoshita, Tomoko ^b   Nanbu, Shinkoh ^c   Aoyagi, Mutsumi ^c  

^a KEIO UNIVERSITY   (Japan)

^b Graduate University of Japan   (Japan)

^c INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

84 Fullerene; C84; IR spectra; RHF

Indexed keywords

FULLERENE DERIVATIVE;

ARTICLE; INFRARED SPECTROMETRY; ISOMERISM; SPECTRAL SENSITIVITY; VIBRATION;

EID: 4243509699     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00431-X     Document Type: Article

References (11)

1. Kikuchi K., Nakahara N., Wakabayashi T., Honda M., Matsumiya H., Moriwaki T., Suzuki S., Shiromaru H., Saito K., Yamauchi K., Ikemoto I., Achiba Y. Chem. Phys. Lett. 188:1992;177.
2. P.W. Fowler, D.E. Manolopoulos, An Atlas of Fullerenes, Clarendon, Oxford, 1995, p. 73.
3. Kikuchi K., Nakahara N., Wakabayashi T., Suzuki S., Shiromaru H., Miyake Y., Saito K., Ikemoto I., Kainosho M., Achiba Y. Nature. 357:1992;142.
4. Dennis T.J.S., Kai T., Tomiyama T., Shinohara H. Chem. Commun. 5:1998;619.
5. T.J.S. Dennis, T. Kai, T. Tomiyama, H. Shinohara, Y. Kobayashi, K. Kikuchi, Y. Achiba, in preparation.
6. T.J.S. Dennis, T. Kai, T. Tomiyama, H. Shinohara, private communication.
7. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian94, Revision E.1, Gaussian, Inc., Pittsburgh, PA, 1995.
8. http://ccinfo.ims.acjp/staff/nisikawa.html.
9. Hulman M., Pichler T., Kuzmany H., Zerbetto F., Yamamoto E., Shinohara H. J. Mol. Struct. 408:1997;359.
10. Pople J.A., Krishnan R., Schlegel H.B., DeFrees D., Binkley J.S., Fisch M.J., Whiteside R.F., Hout R.F., Hehre W.J. Int. J. Quantum Chem. Symp. 15:1981;269.
11. Haddon R.C. Acc. Chem. Res. 25:1992;127.