Resonance enhanced multiphoton ionization spectroscopy and theoretical calculations of cis- and trans-m-aminostyrene rotamers
文献类型：期刊论文
| 作者 | Dong, Changwu; Zhang, Lijuan; Liu, Sheng; Hu, Lili; Cheng, Min; Du, Yikui; Zhu, Qihe; Zhang, Cunha |
| 刊名 | journal of molecular structure
 |
| 出版日期 | 2014-01-24 |
| 卷号 | 1058页码:205-212 |
| 关键词 | m-Aminostyrene Rotamer Resonant two-photon ionization Platt rule Ab initio DFT |
| 英文摘要 | the ab initio and dft calculations predict that two rotamers, cis and trans m-aminostyrene, are stable for each of the s-0, s-1 and d-0 states. in the one-color resonant two-photon ionization (1c-r2pi) spectra, the band origins of the s-1 <- s-0 electronic transitions (0(0) band) of cis and trans m-aminostyrene appear respectively at 30,937 +/- 3 and 31,141 +/- 3 cm(-1). the electronic transition energies (e-1's) of both rotamers of m-aminostyrene are lower than that of p-aminostyrene, which is contrary to the prediction according to the previous studies. the redshift of e-1's may be related to the mixing character of "l-1(b)," and "l-1(a)" in the s-1 states of the two rotamers. the 2c-r2pi spectra give the adiabatic ionization energies of 61,278 +/- 15 and 61,495 +/- 15 cm(-1) for cis and trans rotamers. the observed active modes of rotamers in the si states involve mainly the in-plane ring deformation and substituent-sensitive bending vibration. it is derived from the 1c- and 2c-r2pi spectroscopic data that the cis rotamer of m-aminostyrene is more stable than the trans rotamer by 30 +/- 30, 234 +/- 30 and 247 +/- 30 cm(-1) for the s0, s1 and d0 states, respectively. this is different from the m-aminophenol and m-aminoanisole that have a more stable trans rotamer. (c) 2013 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] | analyzed threshold ionization ; jet fluorescence-spectra ; ab-initio calculations ; 2-photon ionization ; electronic spectroscopy ; torsional potentials ; vibrational-spectrum ; mass-spectrometry ; p-fluoroanisole ; gas-phase |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000330258200026 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/145858]  |
| 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 Natl Lab Mol Sci, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Dong, Changwu,Zhang, Lijuan,Liu, Sheng,et al. Resonance enhanced multiphoton ionization spectroscopy and theoretical calculations of cis- and trans-m-aminostyrene rotamers[J]. journal of molecular structure,2014,1058:205-212. |
| APA | Dong, Changwu.,Zhang, Lijuan.,Liu, Sheng.,Hu, Lili.,Cheng, Min.,...&Zhang, Cunha.(2014).Resonance enhanced multiphoton ionization spectroscopy and theoretical calculations of cis- and trans-m-aminostyrene rotamers.journal of molecular structure,1058,205-212. |
| MLA | Dong, Changwu,et al."Resonance enhanced multiphoton ionization spectroscopy and theoretical calculations of cis- and trans-m-aminostyrene rotamers".journal of molecular structure 1058(2014):205-212. |
入库方式： OAI收割
来源：大连化学物理研究所
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。