Vibrational spectra of cis and trans m-fluorostyrene in the S-1 state studied by one color resonant two photon ionization and theoretical calculations
文献类型：期刊论文
| 作者 | Huang, Jiangou; Xiao, Daoqing; Bi, Weibin; Xu, Xiling; Gao, Zhen; Zhu, Qihe; Zhang, Cunhao |
| 刊名 | journal of molecular structure
 |
| 出版日期 | 2006-08-07 |
| 卷号 | 794期号:1-3页码:320-327 |
| 关键词 | m-fluorostyrene vibrational spectrum ab initio density functional theory (DFT) one color resonant two photon ionization (1C-R2PI) |
| 英文摘要 | the optimized molecular structures of the cis and trans rotamers of m-fluorostyrene in the ground s-0 and excited s-1 states are searched by ab initio and density functional theory (dft) calculations. their vibrational spectra in the s-1 state are studied by one color resonant two photon ionization (1c-r2pi) method. in consideration of the optimized structural geometries, the interaction of the vinyl group with the ring is stronger in the s-1 state than that in the s-0 state, and the c1-c alpha bond exhibits a partial double bond character in the s-1 state. most of the active vibrations assigned from the r2pi spectrum are found to be the in-plane ring modes. analysis on the vibational frequencies shows that there is an increase for the c1-c alpha stretching, and a decrease for the c=c stretching of the vinyl group in the s-1 state with respect to those in the so state. (c) 2006 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] | kinetic-energy photoelectron ; torsional potential function ; beta-methyl styrene ; 291-nm band system ; ab-initio ; supersonic jet ; rotational isomers ; aminobenzoic acid ; spectroscopy ; 3-fluorostyrene |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000240845400044 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/140117]  |
| 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 | Huang, Jiangou,Xiao, Daoqing,Bi, Weibin,et al. Vibrational spectra of cis and trans m-fluorostyrene in the S-1 state studied by one color resonant two photon ionization and theoretical calculations[J]. journal of molecular structure,2006,794(1-3):320-327. |
| APA | Huang, Jiangou.,Xiao, Daoqing.,Bi, Weibin.,Xu, Xiling.,Gao, Zhen.,...&Zhang, Cunhao.(2006).Vibrational spectra of cis and trans m-fluorostyrene in the S-1 state studied by one color resonant two photon ionization and theoretical calculations.journal of molecular structure,794(1-3),320-327. |
| MLA | Huang, Jiangou,et al."Vibrational spectra of cis and trans m-fluorostyrene in the S-1 state studied by one color resonant two photon ionization and theoretical calculations".journal of molecular structure 794.1-3(2006):320-327. |
入库方式： OAI收割
来源：大连化学物理研究所
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