Spectroscopic and computational study of charge-transfer in


Yong Soo Hoo, Beau Barker, and Jonathan M. Smith

Department of Chemistry

Gustavus Adolphus College

Saint Peter, MN 56082



4-dimethylamino-4-nitrostilbene (DMANS) is known to exhibit intramolecular charge transfer through solvent dependent fluorescence emission spectroscopy. DMANS is a member of a class of aromatic molecules with electron donating and accepting groups and is related to the prototypical system dimethylaminobenzonitrile (DMABN) which exhibits twisted intramolecular charge transfer (TICT). Resonance Raman spectra have been recorded for DMANS in an attempt to better understand the interplay of several conformational coordinates and charge-transfer in this system. Computations at the B3LYP 6-31G(d,p) level have been carried out to determine the nature of the vibrational coordinates which show activity in the resonance Raman spectra.