Collect. Czech. Chem. Commun. 1981, 46, 2289-2300

Analysis of vibrational spectra of phenylphosphine, diphenylphosphine and their chloro derivatives. Overlay technique calculation of their force field in the reduced model approximation

Soňa Bergrová-Přádná

The J. Heyrovský Institute of Physical Chemistry and Electrochemistry, Czechoslovak Academy of Sciences, 121 38 Prague 2


A normal coordinate analysis using the "reduced model" of benzene ring was carried out with (C6H5)nPX3-n (n = 1, 2; X = H, Cl) compounds. 46 wavenumbers of vibrational transitions of the phenyl- and phosphine group were determined by means of the overlay technique. The transferability of force constants used in this calculation is discussed and an improved assignment of vibrations in the phenyl and phosphine group, based on PED calculations is presented.