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Title: Energetics, structure, and rovibrational spectroscopic properties of the sulfurous anions SNO{sup −} and OSN{sup −}

The SNO{sup −} and OSN{sup −} 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{sup −} anion is less linear and has weaker bonds than the corresponding neutral radical giving much smaller rotational constants. OSN{sup −} 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{sup −} versus OSN are similar. The vibrational frequencies of SNO{sup −} are red-shifted from the radical while those in OSN{sup −} are mixed. OSN{sup −} has mixing of the stretching modes while the S–N and N–S stretches of SNO{sup −} are largely independent of one another. The ω{sub 3} stretches are much brighter in these anions than they are in the radicals, but the ω{sub 1} stretches are still the brightest.
Authors:
 [1] ;  [2]
  1. Department of Chemistry, Georgia Southern University, Statesboro, Georgia 30460 (United States)
  2. Department of Chemistry, University of Nebraska-Lincoln, Lincoln, Nebraska 68588 (United States)
Publication Date:
OSTI Identifier:
22493218
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 18; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANIONS; ELECTRONS; INCLUSIONS; MIXING; MOLECULAR STRUCTURE; NITROGEN; OXYGEN; RADICALS; RED SHIFT; ROTATIONAL STATES; SULFUR; VIBRATIONAL STATES