A b i n i t i o CI calculation of single vibronic level fluorescence emission spectra and absolute radiative lifetimes of H2CO (1A2)

Abstract

Overlap integrals and dipole transition moments which were obtained by an ab initio CI calculation are used for the calculation of fluorescence emission spectra and absolute radiative lifetimes of single vibronic levels of H₂CO (¹A₂). The agreement betwen calculation and experiment is fairly good. The analysis of the results shows that a large fraction of the total emission intensity is due to low‐intensity transitions and bands at wavelengths larger than 460 nm. The implications of this result for the determination of fluorescence quantum yields and radiative lifetimes are discussed.