Collect. Czech. Chem. Commun.
1980, 45, 80-91
https://doi.org/10.1135/cccc19800080
Trimethylammoniodiformylmethylide: Structure and charge distribution
Vladimír Král and Zdeněk Arnold
Institute of Organic Chemistry and Biochemistry, Czechoslovak Academy of Sciences, 166 10 Prague 6
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.
