Time-resolved resonance Raman and density functional theory investigation of the 4-biphenylnitrene dimerization reaction

Abstract

This paper reports time-resolved resonance Raman spectra for the triplet 4-biphenylnitrene and its reaction to form an azo dimer product (bis-biphenyl-4-yldiazene) in acetonitrile solution. The properties of the triplet 4-biphenylnitrenes were examined based on the results of UBPW91/cc-PVDZ computations. 4-Biphenylnitrene and its azo dimer product were also compared with results previously reported for the 4-methoxyphenylnitrene and its azo dimer product, respectively. The substitution effect of p-phenyl and p-methoxy moieties on the structure and properties of arylnitrenes and azobenzenes are briefly discussed. Copyright © 2004 John Wiley & Sons, Ltd.link_to_subscribed_fulltex