Calculations on the Structure, Vibrational Spectrum, and Enthalpy of Formation of Pentafluoronitrosulfane, SF₅NO₂

Authors

David W. Ball, Cleveland State UniversityFollow

Document Type

Article

Publication Date

8-24-2006

Publication Title

Journal of Molecular Structure - THEOCHEM

Abstract

G2 and G3 calculations have been performed to determine the minimum-energy geometry, vibrational frequencies, and enthalpy of formation of SF₅NO₂, a recently synthesized compound that may act as a greenhouse gas. The strength of the S–N bond has been estimated, as scission of this bond may be the determining factor in the global warming potential of the compound.

Recommended Citation

Ball, D. W. Calculations on the structure, vibrational spectrum, and enthalpy of formation of pentafluoronitrosulfane, SF5NO2. Journal of Molecular Structure: THEOCHEM 2006, 767, 155-158.

DOI

10.1016/j.theochem.2006.06.007

Volume

767

Issue

1-3