REMPI and MATI spectroscopy of cis and trans 4-chloro-3-fluoroanisole

doi:10.1016/j.jms.2017.04.019

	REMPI and MATI spectroscopy of cis and trans 4-chloro-3-fluoroanisole
	Liu, Sheng 1,2; Dai, Wenshuai 1,2; Lin, Dan 1,2; Cheng, Min 2; Du, YiKui 2; Zhu, Qihe 2
刊名	JOURNAL OF MOLECULAR SPECTROSCOPY
	2017-08-01
卷号	338 页码:15-21
关键词	4-chloro-3-fluoroanisole Rempi Mati Substituent Effects
DOI	10.1016/j.jms.2017.04.019
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.
语种	英语
WOS记录号	WOS:000406080700003
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/152050]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	1.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 2.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	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.
APA	Liu, Sheng,Dai, Wenshuai,Lin, Dan,Cheng, Min,Du, YiKui,&Zhu, Qihe.(2017).REMPI and MATI spectroscopy of cis and trans 4-chloro-3-fluoroanisole.JOURNAL OF MOLECULAR SPECTROSCOPY,338,15-21.
MLA	Liu, Sheng,et al."REMPI and MATI spectroscopy of cis and trans 4-chloro-3-fluoroanisole".JOURNAL OF MOLECULAR SPECTROSCOPY 338(2017):15-21.