Quantum mechanical study of intramolecular vibrational energy redistribution in the third CH stretch overtone state in benzene

The absorption spectrum and dynamical evolution of the third CH stretch overtone state CH(v=4) in benzene has been studied quantum mechanically using a completely symmetrized vibrational basis set, in terms of a combined local mode-normal mode description, including all 30 molecular vibrational modes in the calculations. The calculated spectrum in this work has a smaller bandwidth than spectra of benzene CH(v=4) obtained by other authors so far.