Volume 118, 2001

Mapping the OH + CO → HOCO reaction pathway through IR spectroscopy of the OH–CO reactant complex

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⩽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.

Article information

Article type
Paper
Submitted
24 Nov 2000
First published
05 Jun 2001

Faraday Discuss., 2001,118, 373-385

Mapping the OH + CO → HOCO reaction pathway through IR spectroscopy of the OH–CO reactant complex

M. I. Lester, B. V. Pond, M. D. Marshall, D. T. Anderson, L. B. Harding and A. F. Wagner, Faraday Discuss., 2001, 118, 373 DOI: 10.1039/B009421H

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements