Aromaticity of the bare osmium trimers and the bindings to group IA/IIA all-metal series

详细信息    查看全文

• 作者：Qiao Jin^a ; ^{jinqiao@bipt.edu.cn} ; Biao Jin^b ; Liang-Fa Gong^a ; Fu-Kai Jin^c
• 关键词：Osmium trimer ; Osmium all-metal compounds ; Multiple aromaticity ; DFT calculation
• 刊名：Computational and Theoretical Chemistry
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：1102
• 期：Complete
• 页码：74-79
• 全文大小：451 K
• 卷排序：1102

文摘

The osmium trimer Os32+/0/2− clusters were studied. The pyramidal Os3M−/0 and bipyramidal Os3M20/2+ (M = Li, Na, K and Be, Mg, Ca) complexes were studied. The Os32+/0/2− clusters possess the multiple (partial σ- and partial δ-) aromaticity. The Os32− motif structure was perfectly preserved in the pyramidal Os3M−/0 and bipyramidal Os3M20/2+ complexes.