Vibrational reorganizational energies of the A-band LMCT absorption in trans-dichlorobis (triphenylphosphine) palladium (II) determined from resonance Raman intensity analysis

Abstract

Resonance Raman spectra including absolute resonance Raman cross section measurements have been recorded for four excitation wavelengths within the A-band ligand to metal charge transfer (LMCT) absorption at ∼ 340 nm of trans-dichlorobis(triphenylphosphine) palladium (II). A relatively simple model together with time-dependent wavepacket calculations were used to simulate simultaneously the absolute absorption and resonance Raman intensities in order to get an estimate of the vibrational reorganizational energies associated with the A-band absorption plus the homogeneous and inhomogeneous broadening to the absorption bandwidth. It seems that there is significant interaction of the triphenylphosphine ligands with the Cl/Pd chromophore of the LMCT absorption band. The results for transdichlorobis(triphenylphosphine) palladium(II) are compared with those of other inorganic compounds.