Please use this identifier to cite or link to this item: http://nopr.niscair.res.in/handle/123456789/46099
Title: Simple structural and bonding representations of fullerenes
Authors: Rathna, A
Chandrasekhar, J
Issue Date: May-1992
Publisher: NISCAIR-CSIR, India
Abstract: Bonding in buckminsterfullerene, C60, can be described in terms of a unique canonical representation in which all six membered rings have a benzenoid Kekule structure while the pentagons are all made of exclusively single bonds. The corresponding valence bond structure reflects the full symmetry of the molecule and is consistent with the observed bond length variations. Computational support for the bonding description is provided using localized MO's obtained at the MNDO level. The requirement of benzenoid structures for all the hexagons can be used as a criterion of stability of fullerenes which complements the pentagon isolation rule. A convenient two-dimensional representation of the fullerene structures incorporating the above bonding description is suggested, especially for use in mechanistic discussions.
Page(s): F51-F55
URI: http://nopr.niscair.res.in/handle/123456789/46099
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections:IJC Vol.31A&B(05) [May 1992]

Files in This Item:
File Description SizeFormat 
IJCA 31A&B(5) F51-F55.pdf4.17 MBAdobe PDFView/Open


Items in NOPR are protected by copyright, with all rights reserved, unless otherwise indicated.