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The electronic structure and properties of pyrazine, its cation, and anion

✍ Scribed by Alan Hinchliffe

Publisher
John Wiley and Sons
Year
1977
Tongue
English
Weight
373 KB
Volume
11
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

Gaussian orbital LCAO MO calculations are reported for pyrazine in its ground and first excited triplet state, together with calculations on its anion and cation. Energies, population analysis indices, and one‐electron properties are compared across the series in order to investigate the differences in electron distribution.

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