Quantum chemistry investigation of electronic structure and NMR spectral characteristics for fluorides of dialkylamidosulfoxylic acids and related compounds.

Abstract

The parent (H(2)N-S-F) and N,N-dialkyl-substituted fluorides of amidosulfoxylic acid (R(2)N-S-F, R=Me or R(2)N=Morph) as well as the related compounds X-S-F (X=CH(3), OH, F, SiH(3), PH(2), SH, Cl) have been investigated with quantum chemical calculations at the ab initio (MP2) level of approximation. The geometries, electronic structures, molecular orbital… (More)
DOI: 10.1002/mrc.2466

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