Studies on the stablest geometries and c-p bonding nature in p-ylide ch2ph3 and pylide-like radical center dot chph3
文献类型：期刊论文
| 作者 | Zeng, YL; Meng, LP; Zheng, SJ |
| 刊名 | Chinese journal of chemistry
 |
| 出版日期 | 2005-05-01 |
| 卷号 | 23期号:5页码:627-633 |
| 关键词 | Topological analysis of electronic density Bonding nature P-ylide P-ylide-like radical |
| ISSN号 | 1001-604X |
| 通讯作者 | Zheng, sj() |
| 英文摘要 | Studies on the geometries, electronic structures and bonding nature of p-yhde ch2ph3 and p-yhde-like radical center dot chph3 have been carried out at the level of mp4(sdtq)/6-311 + +g(d,p) and b3lyp/6-311 + +g(d,p). the c-p bonding nature of them was discussed by means of topological analysis of electronic density. the following conclusions were obtained: the c-p bonding nature of the p-ylide-like radical is similar to that of the p-ylide, and pi bonds exist in both of them. but there are two electrons in the pi bond of p-ylide, while there is only one electron in the a bond of p-ylide-like radical, i.e., there is a single-electron pi bond in the p-ylide-like radical. the electron in the pi bond of p-ylide-like radical appears mainly near the carbon atom. the bond c-p in p-ylide-like radical is weaker than that in the corresponding product, center dot ch2ph2. |
| WOS关键词 | NUCLEAR-MAGNETIC-RESONANCE ; ATOMS-IN-MOLECULES ; GAS-PHASE ; PHOSPHORUS ; CH3PH2 |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Multidisciplinary |
| 语种 | 英语 |
| WOS记录号 | WOS:000228739500032 |
| 出版者 | SCIENCE CHINA PRESS |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2377757 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Zheng, SJ |
| 作者单位 | 1.Hebei Normal Univ, Inst Computat Quantum Chem, Coll Chem, Shijiazhuang 050091, Hebei, Peoples R China 2.Chinese Acad Sci, Grad Sch, Dept Chem, Beijing 100039, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zeng, YL,Meng, LP,Zheng, SJ. Studies on the stablest geometries and c-p bonding nature in p-ylide ch2ph3 and pylide-like radical center dot chph3[J]. Chinese journal of chemistry,2005,23(5):627-633. |
| APA | Zeng, YL,Meng, LP,&Zheng, SJ.(2005).Studies on the stablest geometries and c-p bonding nature in p-ylide ch2ph3 and pylide-like radical center dot chph3.Chinese journal of chemistry,23(5),627-633. |
| MLA | Zeng, YL,et al."Studies on the stablest geometries and c-p bonding nature in p-ylide ch2ph3 and pylide-like radical center dot chph3".Chinese journal of chemistry 23.5(2005):627-633. |
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来源：中国科学院大学
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