使用由二四 ((三乙酸) 与多环芳组成的结构来寻找最大的pi电子密度:Hückel的计算得到了正确的结果
F A Cotton1, E V Dikarev, M A Petrukhina
1Laboratory for Molecular Structure and Bonding, Department of Chemistry, Texas A&M University, P.O. Box 30012, College Station, Texas 77842-3012, USA. cotton@tamu.edu
Journal of the American Chemical Society
|November 22, 2001
概括
研究人员使用迪霍的易斯酸和多环芳 (PAHs) 制造了新的超分子组合. 这些新的引物形成了多样化的结构,包括1D链和2D网络,扩大了协调化学的可能性.
科学领域:
- 超分子化学 超分子化学
- 协调化学 协调化学
- 材料科学 材料科学 材料科学
背景情况:
- 迪罗 (II) 复合物是多用途的易斯酸.
- 多环芳 (PAHs) 是重要的有机构建块.
- 超分子组件提供可调节的特性和结构.
研究的目的:
- 为了合成和表征新的超分子组件.
- 探索PAH与迪罗复合物的协调行为.
- 调查由此产生的引证的结构多样性.
主要方法:
- 没有溶剂的合成技术.
- adducts 的隔离和结晶.
- 单晶X射线衍射分析.
- 赫克尔对π电子密度的计算.
主要成果:
- 准备了新的引证[Rh2(O2CCF3)4]x(L) y,使用了各种固体几何学.
- 观察到不同的结构动图,包括离散分子,1D链和2D网络.
- 通过离中心的eta(2) 链接,PAHs与迪罗中心协调,形成基于立体几何学的不同架构.
结论:
- 基于二 (II) 四 (三乙酸) 和PAHs的新一类超分子组合物已成功合成.
- 这项研究证明了PAHs作为配体在形成复杂的协调结构中的多功能性.
- 实现的结构多样性凸显了设计具有定制性质的新材料的潜力.
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