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Title: Quartic force field-derived vibrational frequencies and spectroscopic constants for the isomeric pair SNO and OSN and isotopologues

The SNO and OSN radical isomers are likely to be of significance in atmospheric and astrochemistry, but very little is known about their gas phase spectroscopic properties. State-of-the-art ab initio composite quartic force fields are employed to analyze the rovibrational features for both systems. Comparison to condensed-phase experimental data for SNO has shown that the 1566.4 cm{sup −1} ν{sub 1} N–O stretch is indeed exceptionally bright and likely located in this vicinity for subsequent gas phase experimental analysis. The OSN ν{sub 1} at 1209.4 cm{sup −1} is better described as the antisymmetric stretch in this molecule and is also quite bright. The full vibrational, rotational, and rovibrational data are provided for SNO and OSN and their single {sup 15}N, {sup 18}O, and {sup 34}S isotopic substitutions in order to give a more complete picture as to the chemical physics of these molecules.
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:
22493577
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 8; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CHEMICAL PHYSICS; COMPARATIVE EVALUATIONS; ISOMERS; ISOTOPIC EXCHANGE; MOLECULES; NITROGEN 15; NITROGEN OXIDES; OXYGEN 18; RADICALS; ROTATIONAL STATES; SULFUR 34; SULFUR COMPOUNDS; VIBRATIONAL STATES