Determination of the chirality of enantiomeric [16O, 17O, 18O] sulfate esters by IR spectroscopy: an ab initio evaluation

Abstract

The calculated shifts accompanying oxygen isotopic substitution in the symmetric and antisymmetric >SO₂ stretching vibrational frequencies of 2,2-dioxo-1,3,2-dioxothianes confirm the experimental finding that these shifts can serve as a diagnostic tool for the determination of the absolute configuration at the sulfur centre of molecules contaIntng chiral [¹⁶O, ¹⁷O, ¹⁸O] sulfate groups.