Resonance enhanced multiphoton ionization spectroscopy and theoretical calculations of cis and trans p-methoxystyrene rotamers

doi:10.1016/j.molstruc.2008.07.032

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	Resonance enhanced multiphoton ionization spectroscopy and theoretical calculations of cis and trans p-methoxystyrene rotamers
	Xiao, Daoqing; Yu, Dan; Xu, Ming; Yu, Zijun; Du, Yikui; Gao, Zhen; Zhu, Qihe; Zhang, Cunhao
刊名	JOURNAL OF MOLECULAR STRUCTURE
	2009-01-29
卷号	918 期号:1-3 页码:154-159
关键词	P-methoxystyrene Rotamer Band Origin R2pi
ISSN号	0022-2860
DOI	10.1016/j.molstruc.2008.07.032
英文摘要	The structures and vibrations of p-methoxystyrene in the first electronically excited state (SI) were studied by mass analyzed resonance-enhanced two photon ionization (R2PI) spectroscopy and theoretical calculations. The ab initio and the density functional theory (DFT) calculations reveal that two rotamers, cis and trans, are stable in both the ground So state and the excited S, state, and their optimized molecular geometries are achieved. The band origins of the S(1) <- S(0) electronic transition of cis and trans p-methoxystyrene are measured to be 33242 and 33324 cm(-1), respectively. Assignment of the observed spectral bands of the two rotamers in the excited S(1) state was made mainly based on the ab initio calculations and the conformity with the available data in the literature. (C) 2008 Elsevier B.V. All rights reserved.
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000263426100020
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/67407]
专题	中国科学院化学研究所
通讯作者	Du, Yikui
作者单位	Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China
推荐引用方式 GB/T 7714	Xiao, Daoqing,Yu, Dan,Xu, Ming,et al. Resonance enhanced multiphoton ionization spectroscopy and theoretical calculations of cis and trans p-methoxystyrene rotamers[J]. JOURNAL OF MOLECULAR STRUCTURE,2009,918(1-3):154-159.
APA	Xiao, Daoqing.,Yu, Dan.,Xu, Ming.,Yu, Zijun.,Du, Yikui.,...&Zhang, Cunhao.(2009).Resonance enhanced multiphoton ionization spectroscopy and theoretical calculations of cis and trans p-methoxystyrene rotamers.JOURNAL OF MOLECULAR STRUCTURE,918(1-3),154-159.
MLA	Xiao, Daoqing,et al."Resonance enhanced multiphoton ionization spectroscopy and theoretical calculations of cis and trans p-methoxystyrene rotamers".JOURNAL OF MOLECULAR STRUCTURE 918.1-3(2009):154-159.