Abstract
Extended Huckel type calculations suggest that the bond populations in SS-dimethyl-N-methyl-sulphonylsulphimide (Me2S:N·SO2Me) are independent of the dihedral angle of the N–SVI bond rotation; the barriers of the rotation can be correlated to steric and lone pair effects. A theoretical interpretation of the experimentally observed interconversion of chiral conformers is given.
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