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在化物-环-基-二-基-酸-酸 (1/1) 共同晶体中的四键

Sachin Liyanage¹, Jeffrey S Ovens¹, David L Bryce¹

¹Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario, K1N6N5, Canada.

|September 11, 2023

概括

这项研究报告了化合物的晶体结构,揭示了和氧之间强大的四键. 这种相互作用对于理解有机蛋白化合物中的结合至关重要.

科学领域:

无机化学无机化学有机化学
晶体学晶体学是指结晶学.
超分子化学超分子化学

背景情况:

有机蛋白化合物因其多样化的化学特性和应用而受到广泛研究.
环键是14组元素的非共价相互作用,在分子组装和反应性中起着重要作用.
了解分子间相互作用是设计新材料和预测化学行为的关键.

研究的目的:

确定[SnCl(C6H5) 3) ·C18H21OP共晶的单晶X射线衍射结构.
为了研究锡和氧原子之间的四结合的存在和特征.
分析与四键和相关的分子间相互作用相关的几何参数.

主要方法:

单晶X射线衍射被用来阐明共晶的三维结构.
对键距离,键角和分子间接触进行了分析.
观察到的Sn-O距离与范德瓦尔斯半径的总和进行比较,以量化四键强度.

主要成果:

成功确定了[SnCl ((C6H5) 3) ·C18H21OP的1:1共晶结构.
在原子和共晶体的氧原子之间确定了一个短且定向的四键.
Sn-O 距离 (2.346(4) Å) 和 Cl-SnO 角度 (174.0(1) °) 证实了强烈的四相互作用,与 σ 孔结合一致.

结论:

该研究证实了[SnCl ((C6H5) 3) ·C18H21OP共晶体中形成显著的四键.
观察到的四键是控制晶体包装和分子间相互作用的关键特征.
这些发现有助于理解有机蛋白化学和超分子组装中的四结合.

关键词:

协同晶体协同晶体是一个晶体结构晶体结构非共价相互作用 - 非共价相互作用.泰特里尔债券是一项债券.

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