Theoretical and REMPI spectroscopic study on phenylhydrazine and phenylhydrazine-(Ar)n (n=1, 2) van der Waals complexes
文献类型：期刊论文
| 作者 | Xiao, Daoqing; Yu, Dan; Xu, Xiling; Yu, Zijun; Cheng, Min; Du, Yikui; Zheng, Weijun; Zhu, Qihe; Zhang, Cunhao |
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2009 |
| 卷号 | 11期号:18页码:3532-3538 |
| ISSN号 | 1463-9076 |
| DOI | 10.1039/b818688j |
| 英文摘要 | Phenylhydrazine and its van der Waals complexes with one or two argon atoms were investigated with theoretical calculations and resonant two photon ionization (R2PI) spectroscopy. The ab initio and DFT calculations found a conversion of the orbital hybridization of the N(beta) atom from sp(3)-like in the S(0) state to sp(2)-like in the S(1) state, suggesting that the lone pair electrons of the N(beta) atom are involved in a super p-p-pi conjugation over the skeleton of phenylhydrazine in the S(1) state. The structural change of the hydrazino group in the S(1) <- S(0) electronic transition was reflected by the vibrational excitations of the hydrazino group observed in the 1C-R2PI spectrum. The band origin of the S(1) <- S(0) transition is determined to be 33610 cm(-1) and the adiabatic ionization energy (IE) of phenylhydrazine, measured by 2C-R2PI spectroscopy, is 62829 +/- 15 cm(-1). The S(1) <- S(0) electronic transitions of phenylhydrazine-Ar and phenylhydrazine-Ar(2) complexes were also observed in the 1C-R2PI spectrum, and their band origins are, respectively, red-shifted by 39 and 80 cm(-1) from that of phenylhydrazine. |
| 语种 | 英语 |
| WOS记录号 | WOS:000265413300023 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/67849]  |
| 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, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xiao, Daoqing,Yu, Dan,Xu, Xiling,et al. Theoretical and REMPI spectroscopic study on phenylhydrazine and phenylhydrazine-(Ar)n (n=1, 2) van der Waals complexes[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2009,11(18):3532-3538. |
| APA | Xiao, Daoqing.,Yu, Dan.,Xu, Xiling.,Yu, Zijun.,Cheng, Min.,...&Zhang, Cunhao.(2009).Theoretical and REMPI spectroscopic study on phenylhydrazine and phenylhydrazine-(Ar)n (n=1, 2) van der Waals complexes.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,11(18),3532-3538. |
| MLA | Xiao, Daoqing,et al."Theoretical and REMPI spectroscopic study on phenylhydrazine and phenylhydrazine-(Ar)n (n=1, 2) van der Waals complexes".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11.18(2009):3532-3538. |
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。