NMR spectroscopic discrimination of the enantiomer pairs of soman and bispinacolyl‐methylphosphonate and detailed analysis of the pinacolyl group 1H NMR resonances

Abstract

AbstractIf a 1H NMR FID measured from oman is manipulated with Gaussian windowing before Fourier transformation, nine protons' signals of pinacolyl group can show some shape depending on the solvent and temperature. How could those signals shape and separate soman isomers as well as conformers information be combined, or could they fit somehow? Molecular modeling results together with accurate iterative spectral analysis were also extended to bispinacolyl‐methylphoshonate (BPMP), which have two pinacolyl groups. As far as we know, this is the first complete 1H, 13C, and 31P NMR spectral analysis of BPMP.