| 苯桥联分子簇的电子结构和成键 |
| ELECTRONIC STRUCTURE AND BONDING IN THE CLUSTER MOLECULES CONTAINING METAL-BRIDGING BENZENE |
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| 摘要: 本文用Fenske-Hall分子轨道法(PHMO)研究了苯桥联分子簇的电子结构和成键.在这些分子簇中,苯以多种形式配位,导致苯分子中π电子不同程度的极化。这些配位模式也许与苯在不均一性催化剂表面的吸附模型相联系。在这些分子簇中稳定电子组态的价电子数符合9N-L规则。 |
| 关键词: 分子轨道 苯 分子簇 电子结构 成键 |
| 基金项目: 国家自然科学基金重大项目 |
| Abstract: Fenske-Hall MO method is employed, in this paper, for study of the electronic structure and bonding in the cluster molecules containing metal-bridging benzene. The benzene in these cluster molecules is coordinated to metals in severally different ways, resulting in π-electron polarization of benzene in varying degrees. All these coordination models may be associated with the adsorbed models of benzene on the surface of the heterogeneous catalysts. The valence electron count of stably electronic configuration in these cluster molecules obeys 9N-L rule. |
| Keywords: MO benzene cluster molecule electronic structure bonding |
| 投稿时间：1989-08-14 |
| 摘要点击次数: 1534 |
| 全文下载次数: 1400 |
| 朱龙根,H. Wadepohl,N. M. Kostic.苯桥联分子簇的电子结构和成键[J].无机化学学报,1992,8(1):1-6. |
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