T. Ghosh, S. S. Panja and A. K. Mukherjee (2002) Enumeration of non-equivalent carbon atoms in finitely large triangulenes, rhombulenes and related structures

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Enumeration of non-equivalent carbon atoms in finitely large triangulenes, rhombulenes and related structures

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CONTRIBUTORS:

	Author:	T. Ghosh
	Author:	S. S. Panja
	Author:	A. K. Mukherjee

JOURNAL:

Indian journal of chemistry, 41(8), 1604 - 1606.

YEAR:

2002

PUB TYPE:

Journal Article

SUBJECT(S):

chemistry - mathematical

DISCIPLINE:

Mathematics

HTTP:

http://lori.academicdirect.org/cites/20.pdf

LANGUAGE:

English

PUB ID:

103-436-051 (Last edited on 2007/07/08 05:47:15 GMT-6)

SPONSOR(S):

ABSTRACT:
Simple analytic expressions for the number of non-equivalent carbon atoms (NEC) which is important in counting 13C NMR signals in some classes of polynuclear aromatic hydrocarbons, viz., linear polyacenes, flanked pyrenes, triangulenes and rhombulenes have been deduced using Pólya’s enumeration theorem (PET) and Balasubramanian’s method of reduced cycle indices. Given only a very obvious structural feature of the molecular graph, these analytical expressions directly yield the NEC value and construction of the cycle index and reduced cycle index can be avoided. Moreover, in case of triangulenes NEC has been shown to be obtainable from a flow-chart which is easy to construct and for rhombulenes NEC has been shown to be obtainable from Pascal’s triangle.

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