Ground state spin of some molecules with unusual hückel molecular orbital degeneracy

Radhakrishnan, T. P. (1991) Ground state spin of some molecules with unusual hückel molecular orbital degeneracy Tetrahedron Letters, 32 (35). pp. 4601-4602. ISSN 0040-4039

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Official URL: http://www.sciencedirect.com/science/article/pii/0...

Related URL: http://dx.doi.org/10.1016/0040-4039(91)80050-G

Abstract

Prediction of the ground state spin of a special class of non-alternant, non-Kekulé molecules, using a new rule, supported by semi-empirical AMI/CI calculations is found to contradict Hückel molecular orbital result. The ground state spin of the following systems is predicted using a new rule and semi-empirical calculations.

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ID Code:72545
Deposited On:29 Nov 2011 04:09
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