PMID: 11605276Oct 19, 2001Paper

Mapping the OH + CO-->HOCO reaction pathway through IR spectroscopy of the OH-CO reactant complex

Faraday Discussions
Marsha I LesterA F Wagner

Abstract

A hydrogen-bonded complex composed of the OH and CO reactants has been identified along the OH + CO-->HOCO reaction pathway. IR action spectroscopy in the OH overtone region has been used to examine the vibrational modes of the linear OH-CO complex, including intermolecular bending modes that probe portions of the reaction path leading to HOCO. The spectroscopic measurements have accessed highly excited intermolecular levels, with energies up to 250 cm-1 above the zero-point level, which lie in close proximity to the transition state for reaction. The OH-CO binding energy, D0 < or = 430 cm-1, has also been established from the quantum state distribution of the OH fragments following vibrational predissociation of the OH-CO complex. Complementary electronic structure calculations have been performed to characterize the OH-CO and OH-OC complexes, the transition state for HOCO formation, and the direct reaction path that connects the experimentally observed OH-CO complex to the HOCO intermediate.

Citations

Aug 27, 2005·The Journal of Chemical Physics·R CireasaJ J ter Meulen
May 26, 2007·The Journal of Chemical Physics·Zhou LuRobert E Continetti
Nov 10, 2006·The Journal of Chemical Physics·Shesheng ZhangStephen K Gray
Nov 23, 2006·The Journal of Chemical Physics·Richard J DoyleJeremy M Hutson
May 20, 2009·The Journal of Chemical Physics·Paul L StilesRoger E Miller
Aug 21, 2009·The Journal of Chemical Physics·Shiyu Du, Joseph S Francisco
Apr 20, 2005·The Journal of Chemical Physics·Anders Engdahl, Bengt Nelander
May 10, 2011·The Journal of Chemical Physics·Takahiro OyamaYasuki Endo
Jul 21, 2004·The Journal of Chemical Physics·Yong HeStephen K Gray
Jun 15, 2017·The Journal of Physical Chemistry. a·Linyao ZhangShaozeng Sun
Oct 29, 2008·Physical Chemistry Chemical Physics : PCCP·Sharon C KettwichDavid T Anderson

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