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

Authors

David W. Ball, Cleveland State UniversityFollow

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.

Recommended Citation

Ball, D. W. Heats of formation and vibrational spectra of two isomers of S2F2. G2, G3, and CBS-QB3 calculations. Journal of Molecular Structure: THEOCHEM 2004, 676, 15-18.

DOI

10.1016/j.theochem.2003.10.068

Volume

676

Issue

1-3