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The complex spectrum of a "simple" free radical: The (A)over-tilde-(X)over-tilde band system of the jet-cooled boron difluoride free radical

文献类型:期刊论文

作者Clouthier, Dennis J.2; Yang, Jie1; Ellis, Blaine2
刊名JOURNAL OF CHEMICAL PHYSICS
出版日期2011-09-07
卷号135页码:9
ISSN号0021-9606
DOI10.1063/1.3624528
英文摘要The near-ultraviolet band system of the jet-cooled boron difluoride free radical has been studied by a combination of laser-induced fluorescence and single vibronic level wavelength resolved emission spectroscopies. The radical was produced in a supersonic discharge jet using a precursor mixture of 1%-3% of BF3 or (BF3)-B-10 in high pressure argon. A large number of bands were found in the 340-286 nm region and assigned as transitions from the (X) over tilde (2)A(1) ground state to the lower RennerTeller component of the (A) over tilde (2)Pi excited state, based on our previous ab initio potential energy surface predictions, matching the emission spectra Franck-Condon profiles of (BF2)-B-11 and (BF2)-B-10, and comparison of observed and calculated boron isotope effects. Several bands have been rotationally analyzed providing ground state structural parameters of r(0)'' (BF) = 1.3102(9) angstrom and theta(0)'' (FBF) = 119.7(6)degrees. The ground state totally symmetric vibrational energy levels of both boron isotopologues have also been measured and assigned up to energies of more than 8000 cm(-1). Although BF2 might be considered to be a "simple" free radical, understanding the details of its electronic spectrum remains a major challenge for both theory and experiment. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3624528]
WOS关键词SPECTROSCOPY ; GEOMETRY
资助项目National Science Foundation[CHE-0804661] ; National Science Foundation[CHE-0552247]
WOS研究方向Physics
语种英语
WOS记录号WOS:000294665700017
出版者AMER INST PHYSICS
资助机构National Science Foundation
源URL[http://119.78.100.186/handle/113462/33409]  
专题近代物理研究所_实验物理中心
通讯作者Clouthier, Dennis J.
作者单位1.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Gansu, Peoples R China
2.Univ Kentucky, Dept Chem, Lexington, KY 40506 USA
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Clouthier, Dennis J.,Yang, Jie,Ellis, Blaine. The complex spectrum of a "simple" free radical: The (A)over-tilde-(X)over-tilde band system of the jet-cooled boron difluoride free radical[J]. JOURNAL OF CHEMICAL PHYSICS,2011,135:9.
APA Clouthier, Dennis J.,Yang, Jie,&Ellis, Blaine.(2011).The complex spectrum of a "simple" free radical: The (A)over-tilde-(X)over-tilde band system of the jet-cooled boron difluoride free radical.JOURNAL OF CHEMICAL PHYSICS,135,9.
MLA Clouthier, Dennis J.,et al."The complex spectrum of a "simple" free radical: The (A)over-tilde-(X)over-tilde band system of the jet-cooled boron difluoride free radical".JOURNAL OF CHEMICAL PHYSICS 135(2011):9.

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来源:近代物理研究所

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