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The influence of collision and vibrational energy on the reaction with acetylene

Summary: The influence of collision and vibrational energy on the reaction
of CH3CHOż
with acetylene
Ho-Tae Kim, Jianbo Liu, and Scott L. Anderson
Department of Chemistry, University of Utah, Salt Lake City, Utah 84112-0850
Received 22 January 2001; accepted 21 February 2001
Reaction of acetaldehyde cations with acetylene has been studied as a function of collision energy
and acetaldehyde vibrational state. CH3CHO is state selected by resonance-enhanced multiphoton
ionization, and scattered from C2H2 in a guided ion beam instrument. We have also calculated the
structures and energetics of 11 different hydrogen-bonded, covalently bound, and coordination
complexes, some of which are clearly intermediates in the reaction. From the product distribution,
it is clear that some of most stable complexes do not participate in the reaction. The most exoergic
product observed corresponds to CH3 elimination from a covalently bound complex, but this
channel accounts for no more than a few percent of the total reaction signal. The dominant channel
is hydrogen transfer (CH3CO C2H3), which proceeds with 73% efficiency at low energies,
dropping to a near constant 30% at energies above 1 eV. Product recoil velocity distributions
indicate that this channel is complex mediated at low energies, switching to direct scattering at high
energies. The hydrogen transfer reaction is weakly affected by reactant vibration, including 3 , the
aldehyde CH stretch. Methyl elimination is strongly, but nonmode specifically inhibited by
vibration. © 2001 American Institute of Physics. DOI: 10.1063/1.1364684


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


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