The Gas‐Phase Structure of Trifluoromethyl Vinyl Sulfide, CF 3 SC(H)CH 2

The Gas‐Phase Structure of Trifluoromethyl Vinyl Sulfide, CF 3 SC(H)CH 2

The geometric structure of trifluoromethyl vinyl sulfide, CF 3 SC(H)CH 2 , was determined by gas electron diffraction and ab initio calculations (HF/3‐21G * and MP2/6‐31G * ). A single conformer with a dihedral angle ϕ(CC–S–C) = 129(4)° is present. The conformational properties are compared to tho...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Chemische Berichte 1997-01, Vol.130 (1), p.131-134
Hauptverfasser: Lieb, Max, Oberhammer, Heinz
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:The geometric structure of trifluoromethyl vinyl sulfide, CF 3 SC(H)CH 2 , was determined by gas electron diffraction and ab initio calculations (HF/3‐21G * and MP2/6‐31G * ). A single conformer with a dihedral angle ϕ(CC–S–C) = 129(4)° is present. The conformational properties are compared to those of the parent compound, CH 3 SC(H)CH 2 , and of the perfluorinated species CF 3 SC(F)CF 2 .
ISSN:0009-2940
DOI:10.1002/cber.19971300122