Published Research - Department of Chemistry

 

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.

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