Dipole moments and a CNDO/2 study of mesoionic 1,2,3-triazoles
Abstract
The electric dipole moments of three 1-methyl-3-aryl-1,2,3-triazol-4-ylacetamides (1) and of the 1-methyl-3-(p-tolyl)-1,2,3-triazol-4-one (2) were measured in benzene solution at 25 °C, and the orientation of the moment vector in space was determined by the CNDO/2 method. Dipole moment data in connection with charge distribution and electrons in bonds support the mesoionic formulation for (1) and (2).