Title

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

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.

DOI

10.1016/j.theochem.2006.06.007

Volume

767

Issue

1-3