On the twisted intramolecular charge transfer emission from the first excited state of p-( N, N-dimethylamino)benzonitrile

Abstract

The possibility of twisted intramolecular charge transfer (TICT) emission of p-( N, N-dimethylamino)benzonitrile (DMABN) triggered by stretching of the —CN bond has been explored. A detailed theoretical analysis using semiempirical MNDO and CNDO/S-CI methods has been carried out to examine this possibility. The results clearly show that —CN stretching alone has little to do with the TICT phenomenon of DMABN.