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Isomerism and Protonation of α‐Diazocarbonyl Compounds. A Molecular Orbital Study
Author(s) -
Niemeyer Hermann M.
Publication year - 1977
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19770600505
Subject(s) - chemistry , protonation , molecular orbital , fragment molecular orbital , computational chemistry , stereochemistry , organic chemistry , molecule , ion
CNDO/2, MINDO/3 and ab initio molecular orbital calculations are used in a study of conformational isomerism, protonation site and mechanism of protonation of the title compounds.