Title

Heats of Formation and Vibrational Spectra of Two Isomers of S2F2. G2, G3, and CBS-QB3 Calculations

Document Type

Article

Publication Date

5-2004

Publication Title

Journal of Molecular Structure - THEOCHEM

Abstract

The optimized geometries, vibrational frequencies, and heats of formation of disulfur difluoride, FSSF, and thiothionyl fluoride, SySF2, have been determined using G2 theory, G3 theory, and a complete basis set method. Comparison to previously published values is made.

DOI

10.1016/j.theochem.2003.10.068

Volume

676

Issue

1-3