✦ LIBER ✦

Valence partitioning for diradicals and zwitterions

✍ Scribed by Karl Jug; Andreas Poredda

Publisher: Elsevier Science
Year: 1990
Tongue: English
Weight: 480 KB
Volume: 171
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(90)85385-p

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✦ Synopsis

A valence criterion previously developed by us is reinvestigated. The deviation from a standard valence is partitioned in HP and CI contributions to generate a more precise definition of diradicals and zwitterions. The method is compared with other criteria. It is used to classify a large number of small neutral molecules in five groups: covalent molecules, zwitterions, diradicals, 1 ,n-dipolar compounds and diradicals with ionic character.

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