Divinyl selenide conformational study and stereochemical behavior of its 77Se-1H spin-spin coupling constants

Divinyl selenide : conformational study and stereochemical behavior of its 77Se-1H spin-spin coupling constants

Copyright (c) 2008 John Wiley & Sons, Ltd.

Bibliographische Detailangaben
Veröffentlicht in:Magnetic resonance in chemistry : MRC. - 1985. - 46(2008), 10 vom: 01. Okt., Seite 979-85
1. Verfasser: Rusakov, Yury Yu (VerfasserIn)
Weitere Verfasser: Krivdin, Leonid B, Istomina, Natalia V, Potapov, Vladimir A, Amosova, Svetlana V
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2008
Zugriff auf das übergeordnete Werk:Magnetic resonance in chemistry : MRC
Schlagworte:Journal Article Research Support, Non-U.S. Gov't Isotopes Organoselenium Compounds Protons Selenium H6241UJ22B
Beschreibung
Zusammenfassung:Copyright (c) 2008 John Wiley & Sons, Ltd.
Theoretical energy-based conformational analysis of divinyl selenide performed at the MP2/6-311G** level is substantiated by the second-order polarization propagator approach (SOPPA) calculations and experimental measurements of its (77)Se-(1)H spin-spin coupling constants, demonstrating marked stereochemical behavior in respect of the internal rotation of both vinyl groups around the Se-C bonds. Based on these data, divinyl selenide is shown to exist in an equilibrium mixture of three nonplanar conformers: one the preferred syn-s-cis-s-trans and two minor anti-s-trans-s-trans and syn-s-trans-s-trans forms
Beschreibung:Date Completed 27.10.2008
Date Revised 21.11.2013
published: Print
Citation Status MEDLINE
ISSN:1097-458X
DOI:10.1002/mrc.2291