Laser-induced fluorescence of cyclohexadienyl (c-C{sub 6}H{sub 7}) radical in the gas phase

Journal Article · Fri Oct 08 04:00:00 EDT 2004 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.1791634· OSTI ID:20658009

Imamura, Takashi; Weijun, Zhang; Horiuchi, Hiroaki; Hiratsuka, Hiroshi; Kudo, Takako; Obi, Kinichi ^[1]

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1. Ozone Layer Modeling Team, National Institute for Environmental Studies, 16-2 Onogawa, Tsukuba, Ibaraki 305-8506 (Japan)

A laser-induced fluorescence spectrum was observed in the 500-560 nm region when a mixture of 1,4-cyclohexadiene and oxalyl chloride was photolyzed at 193 nm. The observed excitation spectrum was assigned to the A-tilde {sup 2}A{sub 2}<-X-tilde {sup 2}B{sub 1} transition of the cyclohexadienyl radical c-C{sub 6}H{sub 7}, produced by abstraction of a hydrogen atom from 1,4-cyclohexadiene by Cl atoms. The origin of the A-tilde<-X-tilde transition of c-C{sub 6}H{sub 7} was at 18 207 cm-1. From measurements of the dispersed fluorescence spectra and ab initio calculations, the frequencies of several vibrational modes in both the ground and excited states of c-C{sub 6}H{sub 7} were determined: {nu}{sub 5}(C-H in-plane bend)=1571, {nu}{sub 8}(C-Hin-plane bend)=1174, {nu}{sub 10}(C-C-C in-plane bend)=981, {nu}{sub 12}(C-C-C in-plane bend)=559, {nu}{sub 16}(C-C-C out-of-plane bend)=375, and {nu}{sub 33}(C-C-C in-plane bend)=600 cm{sup -1} for the ground state and {nu}{sub 8}=1118, {nu}{sub 10}=967, {nu}{sub 12}=502, {nu}{sub 16}=172, and {nu}{sub 33}=536 cm{sup -1} for the excited states.

• OSTI ID: 20658009
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 14 Vol. 121; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
EXCITATION
EXCITED STATES
FLUORESCENCE
FLUORESCENCE SPECTROSCOPY
GROUND STATES
LASERS
ORGANIC CHLORINE COMPOUNDS
PHOTOLYSIS
PHOTON-MOLECULE COLLISIONS
RADICALS
SPECTRA