Semi-empirical PM3 calculations predict the fluorescence quantum yields (Φ) of 4-monosubstituted benzofurazan compounds

S Uchiyama, T Santa, N Okiyama, K Azuma…

Index: Uchiyama, Seiichi; Santa, Tomofumi; Okiyama, Natsuko; Azuma, Kentaro; Imai, Kazuhiro Journal of the Chemical Society. Perkin Transactions 2, 2000 , # 6 p. 1199 - 1207

Full Text: HTML

Citation Number: 20

Abstract

We have elucidated the relationship between the fluorescence quantum yield (Φ) of 4- monosubstituted benzofurazan (2, 1, 3-benzoxadiazole) compounds and the substituent group at the 4-position using a group of eleven such compounds. The absorption and fluorescence spectra of these compounds were measured in fifteen different solvents. Semi- empirical PM3 calculations were carried out to obtain the optimized geometry, energies, ...