Exploring the OH + CO reaction coordinate via infrared spectroscopy of OH-CO reactant complex.
A hydrogen-bonded complex of OH with CO is identified along the reaction coordinate for the OH + CO {leftrightarrow} HOCO {yields} H + CO{sub 2} reaction. The existence of this linear OH-CO complex is established by infrared action spectroscopy, which accesses vibrational stretching and bending modes of the complex. Complementary electronic structure calculations characterize the OH-CO and OH-OC complexes, the transition state for HOCO formation, and the reaction pathways that connect these complexes directly to the HOCO intermediate.
- Research Organization:
- Argonne National Laboratory (ANL)
- Sponsoring Organization:
- NSF; SC
- DOE Contract Number:
- AC02-06CH11357
- OSTI ID:
- 943239
- Report Number(s):
- ANL/CHM/JA-38557
- Journal Information:
- J. Chem. Phys., Journal Name: J. Chem. Phys. Journal Issue: 22 ; Dec. 8, 2000 Vol. 113; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- ENGLISH
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