Role of geometrical prodan structures in the determination of possible centers of hydrogen bond formation

Abstract

535.37 V. Ya. Artyukhov, and B. V. Korolev Using the method of intermediate neglect of differential overlap (INDO), quantum-chemical investigations of geometrical prodan structures with different rotation and deflection angles of methyl groups in the dimethylaminogroup of the molecule are performed. The charge distribution is studied for different conformations of the molecule. The possible centers of prodan interaction with proton-donor solvents are estimated. It is demonstrated that in addition to the oxygen and nitrogen atoms, the carbon atoms of the hydrocarbon chain and the aromatic prodan ring can interact with the solvent.