Energy simple sulphides

Many applications of Kilpatrick and Pitzer s procedure for calculating thermodynamic properties of molecules with compound rotation have been reported. In all cases possible potential energy cross-terms between rotating tops have been neglected. Contributions from internal rotation of symmetric tops have been calculated using the appropriate tables." These tables have also been used in calculations for the internal rotation of asymmetric tops hindered by a simple -fold cosine potential. 3-Fold potential barriers have been assumed in calculations for the —OH rotations in propanol and 1-methylpropanol, the —SH rotations in propane-1-thiol, butane-2-thiol, 2-methylpropane-l-thiol, and 2-methylbutane-2-thiol, the C—S skeletal rotations in ethyl methyl sulphide, diethyl sulphide, isopropyl methyl sulphide, and t-butyl methyl sulphide, and the C—C skeletal rotations in 2,3-dimethylbutane, and 2-methylpropane-l-thiol. 2-Fold cosine potential barriers have been assumed in calculations in the S—S skeletal rotations in dimethyl disulphide and diethyl disulphide. ... 

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