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Heavy atom nitroxyl radicals. II: Spectroscopic detection of H2As=O, the prototypical arsenyl free radical
He, Sheng-Gui1; Sunahori, Fumie X.2; Yang, Jie2; Clouthier, Dennis J.2
2009-09-21
Source PublicationJOURNAL OF CHEMICAL PHYSICS
ISSN0021-9606
Volume131Issue:11
AbstractThe previously unknown arsenyl (H2AsO) free radical has been identified in the gas phase through a combination of laser-induced fluorescence and single vibronic level emission spectroscopy in a supersonic expansion. Three isotopologues, H2AsO, HDAsO, and D2AsO have been detected as products of an electric discharge in mixtures of arsine or deuterated arsines, CO2, and argon. The observed spectra are assigned as due to the (B) over tilde (2)A'-(X) over tilde (2)A' electronic transition in which an electron in the ground state pi orbital is promoted to the pi* orbital. Rotational analysis of high-resolution spectra proves that the radical is nonplanar in both electronic states with the following r(0) structures: r ''(As-H) = 1.513(4) angstrom, r ''(As-O) = 1.672(1) angstrom, theta ''(HAsH) = 101.8(4)degrees, ground state out-of-plane angle=63.1 degrees; r'(As-H) = 1.525(10) angstrom, r'(As-O) = 1.806 (3) angstrom, theta'(HAsH) = 93.4(10)degrees, and excited state out-of-plane angle=70.7 degrees. Small hyperfine splittings in the spectra have enabled the determination of the arsenic Fermi contact parameter in both states. The results of our ab initio studies of the ground and excited state of this radical (see immediately preceding paper) are in good agreement with the spectroscopic analysis. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3230142]
DOI10.1063/1.3230142
Indexed BySCI
Language英语
WOS IDWOS:000270097400026
PublisherAMER INST PHYSICS
Citation statistics
Cited Times:12[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/67870
Collection中国科学院化学研究所
Corresponding AuthorHe, Sheng-Gui
Affiliation1.Chinese Acad Sci, Beijing Natl Lab Mol Species, State Key Lab Struct Chem Unstable & Stable Speci, Inst Chem, Beijing 100190, Peoples R China
2.Univ Kentucky, Dept Chem, Lexington, KY 40506 USA
Recommended Citation
GB/T 7714
He, Sheng-Gui,Sunahori, Fumie X.,Yang, Jie,et al. Heavy atom nitroxyl radicals. II: Spectroscopic detection of H2As=O, the prototypical arsenyl free radical[J]. JOURNAL OF CHEMICAL PHYSICS,2009,131(11).
APA He, Sheng-Gui,Sunahori, Fumie X.,Yang, Jie,&Clouthier, Dennis J..(2009).Heavy atom nitroxyl radicals. II: Spectroscopic detection of H2As=O, the prototypical arsenyl free radical.JOURNAL OF CHEMICAL PHYSICS,131(11).
MLA He, Sheng-Gui,et al."Heavy atom nitroxyl radicals. II: Spectroscopic detection of H2As=O, the prototypical arsenyl free radical".JOURNAL OF CHEMICAL PHYSICS 131.11(2009).
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