HeI photoelectron spectroscopy and theoretical studies of the series of dicarbonyl compounds
文献类型：期刊论文
| 作者 | Li, XY; Li, WJ; Zheng, SJ; Wang, DX |
| 刊名 | ACTA CHIMICA SINICA
 |
| 出版日期 | 1999 |
| 卷号 | 57期号:11页码:1252-1256 |
| 关键词 | Ultraviolet Photoelectron Spectroscopy(Ups) Rhf/sto-6g Dicarbonyl Compounds |
| ISSN号 | 0567-7351 |
| 英文摘要 | The HeI photoelectron spectroscopy of compounds 1,4 - Naphthoquione, tetracyano benzoguione, di - o - phathalic anhyclrid acid have been studied for the first time. To assign these spectra, RHF/3 - 21G optimization and RHF/STO - 6G molecular orbital calculation for these three compounds have also been performed. The results show that: the first ionization peak of these compounds are all related to the pi bonds of the benzene ring and carbonyl, and the increase of the ionization potentials of HOMO is linear with the gradual addition of the carbonyl in the HOMO. The second peak and the third peak of the three compounds are all related to the lone pair ionization of atom O. From these, we can conclude that: the carbonyl is the characteristic group of this kind of compound. Furthermore we also find that: the higher symmetry the compound has, the greater the average of n(-)/n(+) is, and the greater n(-), n(+) spitting it has too. |
| 语种 | 英语 |
| WOS记录号 | WOS:000083783900012 |
| 出版者 | ACTA CHIMICA SINICA |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/75087]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Li, XY |
| 作者单位 | 1.Hebei Teachers Univ, Dept Chem, Shijiazhuang 050091, Peoples R China 2.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, XY,Li, WJ,Zheng, SJ,et al. HeI photoelectron spectroscopy and theoretical studies of the series of dicarbonyl compounds[J]. ACTA CHIMICA SINICA,1999,57(11):1252-1256. |
| APA | Li, XY,Li, WJ,Zheng, SJ,&Wang, DX.(1999).HeI photoelectron spectroscopy and theoretical studies of the series of dicarbonyl compounds.ACTA CHIMICA SINICA,57(11),1252-1256. |
| MLA | Li, XY,et al."HeI photoelectron spectroscopy and theoretical studies of the series of dicarbonyl compounds".ACTA CHIMICA SINICA 57.11(1999):1252-1256. |
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。