Journal
FARADAY DISCUSSIONS
Volume 118, Issue -, Pages 373-385Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/b009421h
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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, D-0 less than or equal to 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.
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