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

Abstract

If a 1 H 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 bispinacolylmethylphoshonate (BPMP), which have two pinacolyl groups. As far as we know, this is the first complete 1 H, 13 C, and 31 P NMR spectral analysis of BPMP.