Fundamental vibrations of six- and seven-membered selenium sulphide ring molecules

Abstract

The fundamental vibrations of eleven possible six-membered selenium sulphide ring molecules Se_nS_{6 –n}, as well as of all isomers of the two seven-membered rings 1,2-Se₂S₅ and 1,2-Se₅S₂, have been calculated using an extended Urey–Bradley force field in order to support ongoing and future preparative work by providing a convenient method for characterizing the new products which can be prepared by a variety of chemical reactions. The calculated wavenumbers for SeS₅ and 1,2-Se₂S₅ have been used to assign the Raman spectra for both compounds. In general, the results indicate that the stretching vibrations of various selenium sulphides are sufficiently different to allow identification of the species by a detailed analysis of their Raman spectra.