The 2A1–2E electronic spectrum of methoxy, CH3O: Vibrational progressions, and spin‐orbit and Jahn–Teller couplings

Autor:	E. L. Chappell, S. C. Hulegaard, P. G. Carrick, P. C. Engelking, S. D. Brossard
Rok vydání:	1986
Předmět:	Coupling constant Angular momentum Hydrogen Chemistry Hydride Jahn–Teller effect General Physics and Astronomy chemistry.chemical_element Electronic structure Photochemistry Molecular physics Deuterium Physical and Theoretical Chemistry Spin (physics)
Zdroj:	The Journal of Chemical Physics. 84:2459-2465
ISSN:	1089-7690 0021-9606
Popis:	The 310 nm electronic emission system of jet‐cooled methoxy radical has been examined at 4 cm−1 resolution. The spectrum shows extensive progressions in the upper and lower state CO stretch frequencies, v’3 =660±2 cm−1 and v‘3 =1045±3 cm−1. Two other lower state frequencies have been determined: the hydrogen stretch v‘1 =2749±5 cm−1 and the hydrogen scissors v‘5 =1499±6 cm−1. The Jahn‐Teller effect activates v‘5 with a coupling constant of k2=0.28±0.06, but does not appreciably activate either v‘4 or v‘6. The corresponding frequencies have been observed in deuterated methoxy. The change in the spin‐orbit splitting upon deuteration, dropping from 62 to 56 cm−1, indicates that the purely electronic spin‐orbit splitting is 98±11 cm−1, while the vibronic reduction factor in the hydride is 0.63±0.06.
Databáze:	OpenAIRE
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