Mapping the OH + CO-->HOCO reaction pathway through IR spectroscopy of the OH-CO reactant complex.
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.
Lester
M I
MI
Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104-6323, USA. milester@sas.upenn.edu
Pond
B V
BV
Marshall
M D
MD
Anderson
D T
DT
Harding
L B
LB
Wagner
A F
AF
D002248:Carbon Monoxide / Q000737:chemistry*; D017665:Hydroxyl Radical / Q000737:chemistry*; D013055:Spectrophotometry, Infrared
D017665:Hydroxyl Radical; D002248:Carbon Monoxide