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题名: REMPI and MATI spectroscopy of cis and trans 4-chloro-3-fluoroanisole
作者: Liu, Sheng1, 2;  Dai, Wenshuai1, 2;  Lin, Dan1, 2;  Cheng, Min1;  Du, YiKui1;  Zhu, Qihe1
关键词: 4-Chloro-3-fluoroanisole ;  REMPI ;  MATI ;  Substituent effects
刊名: JOURNAL OF MOLECULAR SPECTROSCOPY
发表日期: 2017-08-01
DOI: 10.1016/j.jms.2017.04.019
卷: 338, 页:15-21
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Physics, Atomic, Molecular & Chemical ;  Spectroscopy
研究领域[WOS]: Physics ;  Spectroscopy
英文摘要: The Resonance-enhanced two-photon ionization (R2PI) and Mass-analyzed threshold ionization (MATI) spectra of 4-chloro-3-fluoroanisole (4Cl3FA) were recorded in detail. The experimental and calculated results revealed that cis and trans 4Cl3FA are the only two stable conformers in each of the S-0, S-1 and D-0 states. The first electronic excitation energies (E-1's) of cis and trans Cl-35-4Cl3FA were measured to be 35,326 +/- 3 and 35,443 +/- 3 cm(-1) by the R2PI spectroscopy and the corresponding adiabatic ionization energies (IEs) were determined to be 67,330 +/- 5 and 67,591 +/- 5 cm(-1) by the MATI spectroscopy. The E-1's and IEs of cis and trans Cl-37-4Cl3FA were also obtained and found to be identical to that of the Cl-35-4Cl3FA conformers. Compared with the trans 4Cl3FA, the cis 4Cl3FA is more stable in the S-0, S-1 and D-0 states. The vibrational bands observed in the R2PI and MATI spectra are related to the vibrations involving the in plane deformation of the benzene ring, the CH3 torsion and the OCH3 inversion. The substituent effects on the molecular structures, transition energies and vibrations of 4Cl3FA are discussed. (C) 2017 Elsevier Inc. All rights reserved.
关键词[WOS]: ANALYZED THRESHOLD IONIZATION ;  RESONANT 2-PHOTON IONIZATION ;  THEORETICAL CALCULATIONS ;  PHOTOELECTRON-SPECTROSCOPY ;  VIBRATIONAL-SPECTRUM ;  ABSORPTION-SPECTRA ;  O-FLUOROANISOLE ;  P-FLUOROANISOLE ;  RYDBERG STATES ;  GAS-PHASE
语种: 英语
WOS记录号: WOS:000406080700003
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/152050
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China

Recommended Citation:
Liu, Sheng,Dai, Wenshuai,Lin, Dan,et al. REMPI and MATI spectroscopy of cis and trans 4-chloro-3-fluoroanisole[J]. JOURNAL OF MOLECULAR SPECTROSCOPY,2017,338:15-21.
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