Author:
Král Vladimír,Arnold Zdeněk
Abstract
Geometric arrangement of trimethylammoniodiformylmethylide (I) and charge distribution in this compound were calculated by quantum chemical methods (EHT, CNDO/2, INDO, PCILO, MINDO/2, ab initio). Total energy minimum was found for the arrangement If. The experimentally found dipole moment agrees very well with that calculated for this conformation.
Publisher
Institute of Organic Chemistry & Biochemistry
Cited by
8 articles.
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