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Title: A theoretical study on the interstellar synthesis of H{sub 2}NCS{sup +} and HNCSH{sup +} cations

HNCS and NCSH molecules, recently discovered in the interstellar medium, are likely formed via the dissociative recombination of H{sub 2}NCS{sup +} or HNCSH{sup +} isomeric ions. Interstellar synthesis of the latter is discussed on theoretical grounds. The analysis of relevant potential energy surfaces suggests a key role for chemical processes in which CSH{sup +} or HCS{sup +} cations (most likely formed in CS+H{sub 3}{sup +} collisions) react with NH{sub 2} or NH{sub 3}. The astrochemical kinetic database (kida.uva.2011), appended with 7 sulfur-bearing molecules and 48 corresponding reactions, has been applied to model the evolution of HNCS, NCSH, and their cationic precursors in a quiescent molecular cloud. Based on the model and on spectroscopic predictions, for an object like TMC-1, we expect the total intensity of H{sub 2}NCS{sup +} microwave lines to be comparable to that observed for HSCN. Theoretically derived molecular parameters, of interest for radio spectroscopy, are given for the most stable cations sharing the H{sub 2}NCS{sup +} stoichiometry.
Authors:
;  [1]
  1. Institute of Physical Chemistry, Polish Academy of Sciences, 44/52 Kasprzaka, 01-224 Warsaw (Poland)
Publication Date:
OSTI Identifier:
22365134
Resource Type:
Journal Article
Resource Relation:
Journal Name: Astrophysical Journal; Journal Volume: 792; Journal Issue: 2; Other Information: Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
79 ASTROPHYSICS, COSMOLOGY AND ASTRONOMY; CATIONS; COLLISIONS; COMPARATIVE EVALUATIONS; COMPUTERIZED SIMULATION; ELECTRIC GROUNDS; FORECASTING; INTERSTELLAR SPACE; MICROWAVE RADIATION; MOLECULAR IONS; RECOMBINATION; SPACE; SPECTROSCOPY; STAR EVOLUTION; SURFACES; SYNTHESIS