TITLE

The effects of vibrational mode and collision energy on the reaction of formaldehyde cation with carbonyl sulfide

AUTHOR(S)
Liu, Jianbo; Van Devener, Brian; Anderson, Scott L.
PUB. DATE
November 2002
SOURCE
Journal of Chemical Physics;11/8/2002, Vol. 117 Issue 18, p8292
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The effects of collision energy (E[SUBcol]) and five different H[SUB2]CO[SUP+] vibrational modes on the title reaction have been studied, including measurements of product ion recoil velocity distributions. A series of ab initio and Rice-Ramsperger-Kassel-Marcus calculations were used to examine properties of various complexes and transition states that might be important. Four product channels are observed. Proton transfer (PT) dominates at low E[SUBcol], and is suppressed by E[SUBcol] but mildly enhanced by H[SUB2]CO[SUP+] vibrational excitation. PT occurs by a direct mechanism at high energies, but appears to be mediated by reactantlike complexes at low energies. The other major low energy channel corresponds to H[SUP+,SUB2] transfer, and the majority of these product ions go on to eliminate CO, producing H[SUB2]S[SUP+]. Both H[SUP+,SUB2] transfer and H[SUB2]S[SUP+] channels are strongly inhibited by E[SUBcol] and vibrational excitation, which is interpreted in terms of competition with other channels. Charge transfer occurs in short time scale collisions at all energies, and is strongly enhanced by E[SUBcol] and by vibrational excitation. The vibrational effects for all channels are mode specific.
ACCESSION #
7593071

 

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