| 应用有机结构数据库系统研究钼簇合物的键价规律 |
| |
| 引用本文： | 张英,周家驹,李恩惠,韦统师,王云普,许志宏. 应用有机结构数据库系统研究钼簇合物的键价规律[J]. 物理化学学报, 1992, 8(1): 27-32. DOI: 10.3866/PKU.WHXB19920107 |
| |
| 作者姓名： | 张英 周家驹 李恩惠 韦统师 王云普 许志宏 |
| |
| 作者单位： | The Department of Chemsitry, Northwestern Normal University, Lanzhou 730070; Laboratory of Computer Chemistry of Chinese Academy Sciences, P.O.Box 353, Beijing 100080 |
| |
| 基金项目： | “北京分子稳态-动态结构研究国家开放实验室”资助 |
| |
| 摘 要： | 本文基于有机结构数据库CSD中簇合物的大量信息, 依靠计算机检索、图形显示和运算功能, 系统分析了449个钼簇合物的价电子总数和Mo-Mo键的键价, 键长, 提出钼簇合物的价电子Counting规则和Mo-Mo键的总键价计算修正公式, 总结出Mo-Mo键的键价、健长等。
|
| 关 键 词： | 键价规律 钼簇合物 |
| 收稿时间： | 1990-06-28 |
| 修稿时间： | 1990-12-16 |
SYSTEMATICAL RESEARCH ON THE BOND VALENCES OF MOLYBDENUM CLUSTER COMPOUNDS WITH CAMBRIDGE STRUCTURAL DATABASE |
| |
| Zhang Ying,Zhou Jiaju,Li Enhui,Wei Tongshi,Wang Yunpu,Xu Zhihong The. SYSTEMATICAL RESEARCH ON THE BOND VALENCES OF MOLYBDENUM CLUSTER COMPOUNDS WITH CAMBRIDGE STRUCTURAL DATABASE[J]. Acta Physico-Chimica Sinica, 1992, 8(1): 27-32. DOI: 10.3866/PKU.WHXB19920107 |
| |
| Authors: | Zhang Ying Zhou Jiaju Li Enhui Wei Tongshi Wang Yunpu Xu Zhihong The |
| |
| Affiliation: | The Department of Chemsitry, Northwestern Normal University, Lanzhou 730070; Laboratory of Computer Chemistry of Chinese Academy Sciences, P.O.Box 353, Beijing 100080 |
| |
| Abstract: | Based on the structural information on 449 molybdenum cluster compounds in CSD (Cambridge Stuctural Database), the sum of valence electrons of molybdenum clusers, the average bond valences of Mo-Mo and the average bond lengths of Mo-Mo have been calculated. The current method uses the functions of retrieval, molecular plots and statistics in CSD. It is suggested that the valence electron counting rule ofmolybdenum cluster compouds is:The sum of valence electrons of molybdenum cluster(k)+the sum of bondvalences for Mo-Mo×2=18×n-2×ΣΔ_iand the sum of bond valence for Mo-Mo can be counted by using the formula:v=(18×n-k)/2-ΣΔ_ithe geometry... |
| |
| Keywords: | Bond valence Molybdenum cluster |
| 本文献已被 CNKI 维普 等数据库收录！ |
| 点击此处可从《物理化学学报》浏览原始摘要信息 |
|
点击此处可从《物理化学学报》下载全文 |
|
