ICCAS OpenIR
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
2009-01-29
Source PublicationJOURNAL OF MOLECULAR STRUCTURE
ISSN0022-2860
Volume918Issue:1-3Pages:154-159
AbstractThe 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.
KeywordP-methoxystyrene Rotamer Band Origin R2pi
DOI10.1016/j.molstruc.2008.07.032
Indexed BySCI
Language英语
WOS IDWOS:000263426100020
PublisherELSEVIER SCIENCE BV
Citation statistics
Cited Times:6[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/67408
Collection中国科学院化学研究所
Corresponding AuthorDu, Yikui
AffiliationChinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China
Recommended Citation
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.
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