Collect. Czech. Chem. Commun. 1980, 45, 80-91

Trimethylammoniodiformylmethylide: Structure and charge distribution

Vladimír Král and Zdeněk Arnold

Institute of Organic Chemistry and Biochemistry, Czechoslovak Academy of Sciences, 166 10 Prague 6


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.