Correlation between geometric and vibrational parameters of the SO₂ groups

Abstract

Empirical correlations between geometric and vibrational parameters of relatively simple sulphone molecules have been established for a number of years (Gillespie and Robinson, 1963) and used extensively (see, e.g. Banister, Moore and Padley, 1968; Szmant, 1971). At the time when Gillespie and Robinson (1963) communicated their relationships, it was noted that relatively few S=0 bond lengths were available and they were considered in most cases to be less accurate than the corresponding frequencies. The usefulness of empirical relationships is increasingly recognized which is also shown by recent studies in this area applying up-to-date experimental information. Thus for example relationships have been communicated between geometric and spectroscopic parameters for P-Gl and S-Cl bonds (Belskii, Naumov and Nuretdinov, 1974) and for Si-O, Ge-O, and P-O bonds (Lazarev, Mirgorodskii, Ignatyev and Muldagaliev, 1975). Since up-to-date and consistent geometric data have recently become available for a relatively large series of simple sulphones, a revision of the empirical relationships was timely (Brunvoll and Hargittai, 1977b).