title: Conformational analysis and diastereotopic assignments in the series of selenium-containing heterocycles by means of 77Se-1H spin-spin coupling constants: a combined theoretical and experimental study.
abstract: A combined theoretical and experimental study on the stereochemical behavior of (77)Se-(1)H spin-spin coupling constants has been performed at the second-order polarization propagator approach level together with heteronuclear multiple-bond correlation technique in the series of selenium-containing four-, five- and six-membered heterocycles including the derivatives of thiaselenetane, selenasilole, thiaselenole, thiaselenolane and dihydrothiaselenine. Geminal and vicinal (77)Se-(1)H spin-spin couplings were shown to have the pronounced stereochemical dependences in respect with the topology of the coupling pathway, internal rotation of the side-chain substituents and ring inversion providing a straightforward tool for the conformational analysis and diastereotopic assignments in the chiral organoselenium compounds.
authors: A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russia.
authors: Yury Yu
authors: YY
authors: Rusakov
authors: Leonid B
authors: LB
authors: Krivdin
authors: Vladimir A
authors: VA
authors: Potapov
authors: Maxim V
authors: MV
authors: Penzik
authors: Svetlana V
authors: SV
authors: Amosova