ABINITIO CL CALCULATION OF SINGLE VIBRONIC LEVEL FLUORESCENCE EMISSION-SPECTRA AND ABSOLUTE RADIATIVE LIFETIMES OF H2CO (A-1(2))

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 H 2CO (1A2). The agreement between 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. © 1979 American Institute of Physics.