Direct observation of the 4-methoxyphenylnitrene intersystem crossing from S1 to T1 using picosecond Kerr-gated time-resolved resonance Raman spectroscopy

J Phys Chem A. 2005 Mar 17;109(10):2394-400. doi: 10.1021/jp044670t.

Abstract

A picosecond Kerr-gated time-resolved resonance Raman (ps-KTR(3)) study of the singlet 4-methoxyphenylnitrene intersystem crossing to produce the triplet 4-methoxyphenylnitrene species is reported. The experimental resonance Raman vibrational band frequencies observed for the singlet and triplet 4-methoxylphenylnitrene species in the time-resolved Raman experiments are compared to each other and to predictions from previously published density functional theory calculations. The structure, properties, and chemical reactivity of the singlet and triplet states of the 4-methoxyphenylnitrenes are briefly discussed.