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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
关键词P-methoxystyrene Rotamer Band Origin R2pi
刊名JOURNAL OF MOLECULAR STRUCTURE
2009-01-29
DOI10.1016/j.molstruc.2008.07.032
918期:1-3页:154-159
收录类别SCI
文章类型Article
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
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
WOS记录号WOS:000263426100020
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被引频次:6[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/141450
专题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
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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.
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