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

Summary: The effects of vibrational mode and collision energy on the reaction
of formaldehyde cation with carbonyl sulfide
Jianbo Liu, Brian Van Devener, and Scott L. Andersona)
Department of Chemistry, University of Utah, Salt Lake City, Utah 84112
Received 7 August 2002; accepted 23 August 2002
The effects of collision energy (Ecol) and five different H2CO vibrational modes on the title
reaction have been studied, including measurements of product ion recoil velocity distributions. A
series of ab initio and Rice­Ramsperger­Kassel­Marcus 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 Ecol , and is suppressed by Ecol but mildly
enhanced by H2CO 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 H2 transfer, and the majority of these product ions go on to eliminate CO,
producing H2S . Both H2 transfer and H2S channels are strongly inhibited by Ecol 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 Ecol and by vibrational
excitation. The vibrational effects for all channels are mode specific. © 2002 American Institute of
Physics. DOI: 10.1063/1.1514053
I. INTRODUCTION
In many ways, H2CO is a near-ideal reactant for de-

  

Source: Anderson, Scott L. - Department of Chemistry, University of Utah

 

Collections: Energy Storage, Conversion and Utilization; Materials Science; Chemistry