Infrared spectroscopy and time-resolved dynamics of the ortho-H2–OH entrance channel complex

Autor: David T. Anderson, Marsha I. Lester, Michael W. Todd, Rebecca L. Schwartz
Rok vydání: 1998
Předmět:
Zdroj: The Journal of Chemical Physics. 109:3461-3473
ISSN: 1089-7690
0021-9606
Popis: The rotationally resolved infrared spectrum of the prereactive o-H2–OH complex in its ground electronic state is obtained in the OH overtone region at ∼1.4 μm using an IR-UV double resonance fluorescence enhancement technique. The pure OH overtone band of o-H2–OH is observed as well as approximately 20 additional rovibrational transitions extending out to the OH (X 2Π,v=2)+o-H2(X 1Σg+) dissociation limit. These transitions are assigned as combination bands involving the simultaneous excitation of the OH vibrational overtone and intermolecular bending (internal rotor) states. The assignment of the experimental spectrum is aided by a detailed comparison with the bound states computed for the ab initio potential of Clary, Werner, and co-workers [Mol. Phys. 83, 405 (1994)]. The infrared spectroscopy results also verify the topology of this ab initio potential in the entrance channel to the OH+H2 hydrogen abstraction reaction. Direct time-resolved experiments indicate that the lifetime of the vibrationally act...
Databáze: OpenAIRE