Resonant two-photon ionization spectroscopy of the Cl-35 and Cl-37 isotopomers of cis and trans 3-chloro-4-fluoroanisole
文献类型：期刊论文
| 作者 | Yu, Dan; Dong, Changwu; Zhang, Lijuan; Cheng, Min; Hu, Lili; Du, Yikui; Zhu, Qihe; Zhang, Cunhao |
| 刊名 | JOURNAL OF MOLECULAR STRUCTURE
 |
| 出版日期 | 2011-08-10 |
| 卷号 | 1000期号:1-3页码:92-98 |
| 关键词 | R2pi 3-chloro-4-fluoroanisole Conformational Effect Isotopic Effect |
| ISSN号 | 0022-2860 |
| DOI | 10.1016/j.molstruc.2011.05.058 |
| 英文摘要 | The effects of conformation and isotopic substitution on the properties of 3-chloro-4-fluoroanisole (3C4FA) were studied by mass-analyzed resonant two-photon ionization (R2PI) technique and theoretical calculations. In the one color R2PI spectra, the band origins of the S-1 <- S-0 electronic transitions (0(0) bands) of cis Cl-35-3C4FA and cis Cl-37-3C4FA were found to be equivalent at 34,703 +/- 3 cm(-1), while the 0(0) bands of trans Cl-35-3C4FA and trans Cl-37-3C4FA were found to be equivalent at 34,747 +/- 3 cm(-1). Assignments of the observed vibrational bands of R2PI spectra were made mainly based on the 10-electron, 8-orbital CASSCF/6-31g calculations and on conformity with the available data of the similar aromatic molecules in the literature. With the two color R2PI technique, the adiabatic ionization energies (IEs) of as Cl-35-3C4FA and as Cl-37-3C4FA were determined to be equivalently 67,349 +/- 15 cm(-1), while the IEs of trans Cl-35-3C4FA and trans Cl-37-3C4FA were determined to be equivalently 67,595 +/- 15 cm(-1). The conformational effect on the transition energies, ionization energies and vibrational frequencies of 3C4FA is greater than the isotopic effect. The hetero-dihalogen-substitution effect on the transition energies is also discussed. (C) 2011 Elsevier B.V. All rights reserved. |
| 语种 | 英语 |
| WOS记录号 | WOS:000293929600014 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/73451]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Du, Yikui |
| 作者单位 | Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yu, Dan,Dong, Changwu,Zhang, Lijuan,et al. Resonant two-photon ionization spectroscopy of the Cl-35 and Cl-37 isotopomers of cis and trans 3-chloro-4-fluoroanisole[J]. JOURNAL OF MOLECULAR STRUCTURE,2011,1000(1-3):92-98. |
| APA | Yu, Dan.,Dong, Changwu.,Zhang, Lijuan.,Cheng, Min.,Hu, Lili.,...&Zhang, Cunhao.(2011).Resonant two-photon ionization spectroscopy of the Cl-35 and Cl-37 isotopomers of cis and trans 3-chloro-4-fluoroanisole.JOURNAL OF MOLECULAR STRUCTURE,1000(1-3),92-98. |
| MLA | Yu, Dan,et al."Resonant two-photon ionization spectroscopy of the Cl-35 and Cl-37 isotopomers of cis and trans 3-chloro-4-fluoroanisole".JOURNAL OF MOLECULAR STRUCTURE 1000.1-3(2011):92-98. |
入库方式： OAI收割
来源：化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。