Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform
Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform
复制标题
低熔点分子复合物。
DOI：
10.1039/c2ce26191j
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发表时间：
2012
期刊：
影响因子：
3.1
通讯作者：
J. Howard
中科院分区：
文献类型：
--
作者：
D. Yufit;R. Zubatyuk;O. Shishkin;J. Howard
原位生长了三种新的溴仿低熔点分子配合物的单晶，用X射线晶体学表征了它们的晶体结构，并与它们的氯仿类似物进行了比较。在这些结构中的分子间相互作用的成对能量的计算表明，在某些情况下，最强的相互作用存在于分子之间，而不是由任何短的方向特定的分子间接触。溴仿的键合模式相比，氯仿的高通用性被证明和各种分子间的相互作用（包括卤键）在研究的分子复合物的相对作用进行了讨论。
Single crystals of three new low-melting molecular complexes of bromoform have been grown in situ, their crystal structures characterized by X-ray crystallography and compared with those of their chloroform analogues. The calculations of pair-wise energies of intermolecular interactions in these structures reveal that in some cases the strongest interactions exist between the molecules which are not linked by any short direction-specific intermolecular contacts. A high versatility of bonding modes of bromoform in comparison to chloroform is demonstrated and the relative role of various intermolecular interactions (including halogen bonds) in studied molecular complexes is discussed.