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Thermochemistry of HCOS + and HCS 2 +
Author(s) -
McAllister Trevor,
Taylor Peter R.,
Scarlett Margaret
Publication year - 1986
Publication title -
organic mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0030-493X
DOI - 10.1002/oms.1210210310
Subject(s) - thermochemistry , standard enthalpy of formation , ion , mass spectrometry , chemistry , ab initio , radiative transfer , standard enthalpy change of formation , interstellar cloud , proton , computational chemistry , analytical chemistry (journal) , physics , interstellar medium , environmental chemistry , nuclear physics , astrophysics , organic chemistry , chromatography , galaxy , quantum mechanics
Heats of formation for HCOS + and HCS 2 + , obtained from high‐quality ab initio calculations, have been used to determine the thermochemistry of several reactions which may form these ions in interstellar clouds or mass spectrometer experiments. Radiative association of HCO + or HCS + with either O or S may be important in interstellar clouds, whereas proton transfer from H 3 + or HCO + to CS 2 or COS may be a means of synthesizing these ions by mass spectrometry. In the latter case, the relevant heats of formation are: HCS 2 + ( 1 A 1 ) 1042 kJ mol −1 and HCOS + ( 1 A′) 996 kJ mol −1 .