EXCITED-STATE INTRAMOLECULAR CHARGE-TRANSFER RATES OF P-DIMETHYLAMINOBENZONITRILE (DMABN) IN SOLUTION - A 2-DIMENSIONAL DYNAMICS PERSPECTIVE

The two-dimensional formulation, in the twist angle and a solvent coor dinate, of the photoreaction dynamics of p-dimethylaminobenzonitrile ( DMABN) in solution of Fonseca et al. (J. Mol. Liq., 60 (1994) 161) is implemented with the aid of recently available vacuum quantum chemistr y calculations and is extended to include direct dissipative frictiona l effects on each coordinate. Good agreement is found with recent expe rimental rate measurements for DMABN in acetonitrile, methanol and eth anol solvents. (C) 1997 Elsevier Science S.A.