Stability of the non-IPR isomers 6140 (D3) and 6275 (D 3) of fullerene C68

Fullerenes Nanotubes and Carbon Nanostructures

Volumn 16, Issue 5-6, 2008, Pages 542-545

  Khamatgalimov, Ayrat R ^a   Korolev, Stanislav S ^b   Arkhipov, Alexander A ^b   Arkhipov, Alexey A ^b   Kovalenko, Valeri I ^a,b  

^a A E ARBUZOV INSTITUTE OF ORGANIC AND PHYSICAL CHEMISTRY   (Russian Federation)

^b KAZAN NATIONAL RESEARCH TECHNOLOGICAL UNIVERSITY   (Russian Federation)

Author keywords

Cycle distortion; Non IPR fullerene; Stability; Structure

Indexed keywords

AROMATIC HYDROCARBONS; CHLORINE COMPOUNDS; ELECTRIC REACTORS; FULLERENES;

ATOMIC CLUSTERS; CYCLE DISTORTION; FULLERENE; NON-IPR FULLERENE; PENTALENE; PHENALENYL; STABILITY; STRUCTURE;

ISOMERS;

EID: 52949135583     PISSN: 1536383X     EISSN: 15364046     Source Type: Journal    
DOI: 10.1080/15363830802286244     Document Type: Conference Paper

References (9)

1. 68. Structural assignment of the first fullerene with adjacent pentagons. J. Phys. Chem. A, 109: 7068-7072.
2. 3N molecules. J. Phys. Chem. A, 109: 8865-8873.
3. Fowler, P.W. and Manolopoulos, D.E. (1996) An Atlas of Fullerenes. Clarendon Press: Oxford, U.K.
4. Baird, N.C. and West, R.M. (1971) Ground and excited states of pentalene. J. Am. Chem. Soc., 93: 3072-3073.
5. th Workshop "Fullerenes and Atomic clusters" (IWFAC99), St. Petersburg.
6. Kovalenko, V.I. and Khamatgalimov, A.R. (2006) Regularities in the molecular structure of stable fullerenes. Russ. Chem. Rev., 75: 981-988.
7. Frisch, M.J. et al. (1998) Gaussian 98 (Revision A.1). Gaussian, Inc.: Pittsburgh, PA.
8. 74: phenalenyl-radical substructures. Chem. Phys. Lett., 311: 263-268.
9. 70 by quantum-chemical methods. Russ. J. Phys. Chem., 80: 99-105.