意想不到的结构偏好与银中的金属性Ag-Au接触 ((I) -N-异环碳团;实验和理论方法
Priyanka Sahu1, Narayan Ch Jana2, Sahadev Barik2
1Department of Chemistry, Utkal University, Bhubaneswar-751004, Odisha, India. joydevdinda@gmail.com.
Dalton transactions (Cambridge, England : 2003)
|December 15, 2023
概括
研究人员使用新的NCN-pincer连接体合成了一种新型异构金属集群. 这项研究介绍了第一个异金属三核金银系统,揭示了新复合体中优越的黄金结合和增强的芳香度.
科学领域:
- 协调化学 协调化学
- 有机金属化学 有机金属化学
- 超分子化学 超分子化学
背景情况:
- 新型连接体的开发对于合成独特的金属复合物至关重要.
- NCN-pincer连接物为金属离子提供了多功能协调环境.
- 了解异金属系统有助于促进催化和材料科学.
研究的目的:
- 通过使用新的NCN-pincer连接体合成一种新型异构金属集群.
- 描述合成复合物的结构和特性.
- 为了研究金属对金属的相互作用和由此产生的集群中的芳香度.
主要方法:
- 一个新的NCN-pincer连接体 (1·HPF6) 的合成.
- 通过Ag2O路径制备一个银 (I) 三核复合物 ([Ag3 (I)) 1 ] 3 [PF6 (I) 3 , 2) .
- 转金属化反应形成一个异金属金银集群 ([Au-Ag2(1)2Cl][PF6]2,3).
- 使用单晶X射线衍射 (SCXRD) 进行结构确认.
- 计算分析包括尺寸独立原子轨道 (GIAO) 计算.
主要成果:
- 成功合成了一种新型NCN-pincer连接体及其银(I) 复合体 (2).
- 通过转移形成第一个异金属三核金银星团 (3).
- SCXRD研究证实了2号和3号三核星团的几何结构.
- 黄金 ((I) 证明了与软碳化合物供体 (Ccarbene) 的优先结合.
- 这两种复合体都表现出发光和s-芳香度,而复合体3根据NICS值显示出更高的芳香度.
结论:
- 一个新的合成策略使得独特的异金属集群的创建成为可能.
- 该研究强调了黄金在异金属系统中的选择性协调行为.
- 合成的复合物具有有趣的光物理和电子特性,包括发光和σ-芳香度.
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