Time-Resolved Resonance Raman and Density Functional Study of the Radical Cation of Chlorpromazine

• Published in: The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Vol. 104; no. 18; pp. 4140 - 4148
• Main Authors: Pan, Duohai, Shoute, Lian C. T, Phillips, David Lee
• Format: Journal Article
• Language: English
• Published: American Chemical Society 11.05.2000

We have obtained a resonance Raman spectrum of the radical cation of promazine. We have also carried out density functional theory calculations to find the structures, hyperfine coupling constants (hfcc's), spin densities, and vibrational frequencies for the ground electronic states of the neut...