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

	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
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.
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, physical
研究领域[WOS]	chemistry
关键词[WOS]	rotational isomers ; supersonic jet ; ab-initio ; geometry assignment ; zeke spectroscopy ; styrene ; complexes ; spectrum ; benzenes ; states
收录类别	SCI
语种	英语
WOS记录号	WOS:000263426100020
公开日期	2015-11-17
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/141450]
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	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.