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题名: Resonance enhanced multiphoton ionization spectroscopy and theoretical calculations of cis and trans p-methoxystyrene rotamers
作者: Xiao, Daoqing1;  Yu, Dan1;  Xu, Ming1;  Yu, Zijun1;  Du, Yikui1;  Gao, Zhen1;  Zhu, Qihe1;  Zhang, Cunhao1
关键词: p-Methoxystyrene ;  Rotamer ;  Band origin ;  R2PI
刊名: JOURNAL OF MOLECULAR STRUCTURE
发表日期: 2009-01-29
DOI: 10.1016/j.molstruc.2008.07.032
卷: 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
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.
关键词[WOS]: ROTATIONAL ISOMERS ;  SUPERSONIC JET ;  AB-INITIO ;  GEOMETRY ASSIGNMENT ;  ZEKE SPECTROSCOPY ;  STYRENE ;  COMPLEXES ;  SPECTRUM ;  BENZENES ;  STATES
语种: 英语
WOS记录号: WOS:000263426100020
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/141450
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 100080, Peoples R China

Recommended Citation:
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.
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