Title: The gas-phase RnX-NO+ (X = O, N, S) cations: nitroso onium cations versus ion-molecule complexes
Authors: Nguyen, Minh Tho ×
Lahem, D
Flammang, R #
Issue Date: 1998
Series Title: Chemical Physics Letters vol:283 issue:5-6 pages:357-362
Conference: date:Univ Louvain, Dept Chem, B-3001 Louvain, Belgium; Univ Mons, Organ Chem Lab, B-7000 Mons, Belgium
Abstract: Collisional activation (CA) and ion-molecule reaction experiments making use of a hybrid tandem mass spectrometer provide evidence for the dilute gas-phase existence of the nitroso sulfonium cation (H2SNO+). Ab initio molecular orbital calculations using the coupled-cluster method, CCSD(T), with both 6-31G(d,p) and 6-311 + + G(3df,2p) basis sets confirm that, while H2SNO+ is relatively stable with respect to fragmentation, it can best be regarded as a strong molecular complex between NO+ and SH2 rather than an onium cation. Other nitroso onium cations have also been generated by ionization of mixtures incorporating NO. and water, methanol, ammonia and alkane thiols and characterized by collisional activation and by neutralization-reionization (NR) mass spectrometry. (C) 1998 Elsevier Science B.V.
ISSN: 0009-2614
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Quantum Chemistry and Physical Chemistry Section
× corresponding author
# (joint) last author

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