[Au(η~2-Sn_2Sb_2)_2]~(3-): a Mixed Group 14/15 Tetrahedral Dimer Bridged by Au

• 作 者: 潘付兴 李磊娇 孙忠明
• 机 构: State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, C
• 出 处: 结构化学
• 发表日期: 2016年07期
• 关键词: coordinated bonding tetrahedral orbital conformation ternary Au Sn_2Sb_2 planar

A new ternary cluster anion [Au(η~2-Sn_2Sb_2)_2]~(3-) was synthesized and identified. The electronic structure of [Au(η~2-Sn_2Sb_2)_2]~(3-) was analyzed by means of DFT calculations. The electronic energy and energy gap indicate that [Au(η~2-Sn_2Sb_2)_2]~(3-) features coplanar faces AuSn_2 in which gold is directly coordinated by four tin atoms. Molecule orbital composition analysis indicates that d-orbital in Au atom contributes to bonding. Charge decomposition analysis(CDA) shows that electron donation and back donation are the key factors forming planar conformation of Au atom in [Au(η~2-Sn_2Sb_2)_2]~(3-). Meanwhile, the calculated Mayer bond order indicates relatively weaker interactions between Au and coordinated tetrahedral [Sn_2Sb_2]~(2-).

The new structure of [Au (η ~ 2-Sn_2Sb_2) _2] ~ (3-) was synthesized and identified. The electronic structure of [Au of DFT calculations. The electronic energy and energy gap indicate that [Au (η ~ 2-Sn_2Sb_2) _2] ~ (3-) features coplanar faces AuSn_2 in which gold is currently coordinated by four tin atoms. Molecule orbital composition analysis that d -orbital in Au atom contributes to bonding. Charge decomposition analysis (CDA) shows that electron donation and back donation are the key factors forming planar conformation of Au atom in [Au (η ~ 2-Sn_2Sb_2) _2] ~ (3-). Meanwhile, the calculated Mayer bond order indicates more weaker interactions between Au and coordinated tetrahedral [Sn_2Sb_2] ~ (2-).