Ground-state spin of conjugated non-Kekulé molecules

Radhakrishnan, T. P. (1991) Ground-state spin of conjugated non-Kekulé molecules Chemical Physics Letters, 181 (5). pp. 455-462. ISSN 0009-2614

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A simple rule is presented to predict the ground-state spin of π-conjugated non-Kekulé molecules and polymers. It is compared with previous rules, computational studies and experimental observations. Predictions of the new rule for novel systems of interest in the pursuit of organic ferromagnetism are tested using semi-empirical calculations.

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ID Code:72543
Deposited On:29 Nov 2011 04:09
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