Vibrational spectra and normal coordinate analysis for cis-diamminetetrachloroplatinum

Abstract The normal coordinate analysis of cis -diamminetetrachloroplatinum has been carried out by using a modified Urey—Bradley force field. According to the molecular structure, 45 internal coordinates were established and 33 theoretical vibrational frequencies were calculated. Due to considering the interaction between non-neighbouring stretching vibrations and between bending vibrations and introducing an appropriate set of internal coordinates in the course of calculation, the calculated frequencies agree well with the observed values, with an average difference 3.61 cm −1 between them. The rationality and the reliability of the results are discussed and the questionable empirical assignment of ν(PtCl) in the literature is corrected.