Energetics, structure, and rovibrational spectroscopic properties of the sulfurous anions SNO⁻ and OSN⁻

Authors

Ryan C. Fortenberry, Georgia Southern UniversityFollow
Joseph S. Francisco, University of Nebraska-LincolnFollow

Document Type

Article

Date of this Version

2015

Citation

THE JOURNAL OF CHEMICAL PHYSICS 143, 184301 (2015)

Comments

©2015 AIP Publishing LLC

Abstract

The SNO⁻ and OSN⁻ anions are shown in this work to be very stable negatively charged species in line with other recent work [T. Trabelsi et al., J. Chem. Phys. 143, 164301 (2015)]. Utilizing established quartic force field techniques, the structural and rovibrational data for these anions are produced. The SNO⁻ anion is less linear and has weaker bonds than the corresponding neutral radical giving much smaller rotational constants.OSN⁻ is largely unchanged in these regards with inclusion of the additional electron.The S–N bond is actually stronger,and the rotational constants of OSN⁻ versus OSN are similar. The vibrational frequencies of SNO⁻ are red-shifted from the radical while those in OSN⁻ are mixed. OSN⁻ has mixing of the stretching modes while the S–N and N–S stretches of SNO⁻ are largely independent of one another. The ω3 stretches are much brighter in these anions than they are in the radicals, but the ω1 stretches are still the brightest.