具有不支持分散增强的-铜和-铜键的分子复合物
Kristian L Mears1, Cary R Stennett2, Elina K Taskinen3
1Materials Chemistry Centre, Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, United Kingdom.
Journal of the American Chemical Society
|November 10, 2020
概括
合成了具有无支铜-和铜-键的新铜复合物. 密度函数理论的计算显示,伦敦分散力对它们的稳定性有很大贡献.
科学领域:
- 协调化学
- 有机金属化学
- 主要组化学
背景情况:
- 含有β-二甲基胺酸的复合物是无机合成中的多功能前体.
- 低价值的13组金属复合物 (例如,,) 与β-二甲基胺酸具有独特的反应性.
- 在无机化学中,无支的金属-金属键的形成是一个重大挑战.
研究的目的:
- 合成具有无支金属结合的新型铜13组金属复合物.
- 描述这些新化合物的结构和电子特性.
- 研究稳定这些独特的金属对金属相互作用的结合作用.
主要方法:
- 一个铜(I) β-二甲酸复合物与低价值和的β-二甲酸复合物的反应.
- 由此产生的铜和铜复合物的分离和表征.
- 单晶X射线衍射以确定分子结构和金属-金属键距离.
- 密度函数理论 (DFT) 计算以分析结合和能量学.
主要成果:
- 成功合成了{BDIMes) CuAl{BDIDip} 和{BDIMes) CuGa{BDIDip} 的复合物.
- 这些复合物表现出不支持的铜-和铜-键,金属-金属距离很短 (Cu-Al = 2.3010(6) Å,Cu-Ga = 2.2916(5) Å).
- DFT计算表明,伦敦分散力约占计算的协会度的50%.
结论:
- 该研究证明了使用β-二甲基胺酸形成不支持的Cu-Al和Cu-Ga键的可行性.
- 短的金属间距离表明了重要的结合相互作用.
- 伦敦分散力在稳定这些新型有机金属化合物中起着至关重要的作用.
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