The nature of interactions of benzene with CF3I and CF3CH2I

被引：13

作者：

Bujak, Maciej ^{[1
,2
,3
]}

Stammler, Hans-Georg ^{[2
,3
]}

Blomeyer, Sebastian ^{[2
,3
]}

Mitzel, Norbert W. ^{[2
,3
]}

机构：

[1] Univ Opole, Fac Chem, Oleska 48, PL-45052 Opole, Poland

[2] Univ Bielefeld, Lehrstuhl Anorgan Chem & Strukturchem, Fak Chem, Univ Str 25, D-33615 Bielefeld, Germany

[3] Univ Bielefeld, CM2, Fak Chem, Univ Str 25, D-33615 Bielefeld, Germany

来源：

CHEMICAL COMMUNICATIONS | 2019年 / 55卷 / 02期

关键词：

CRYSTAL-STRUCTURES; HYDROGEN-BOND; INTERMOLECULAR INTERACTIONS; HALOGEN INTERACTIONS; CLOSE PACKING; BR; STABILIZATION; DISPERSION; COMPLEXES; CHEMISTRY;

D O I：

10.1039/c8cc08980a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

In situ grown crystals of CF3I and CF3CH2I are dominated by II and FF interactions. Their co-crystals with benzene, (CF3I)(2) C 6H6 and CF3CH2I C 6H6, contain two completely different sets of intermolecular interactions. (CF3I)(2) C 6H6 shows a unique halogen-bond type: above-the-bond C-IC6H6 interactions. CF3CH2I C 6H6 shows above-the-centre C-HC6H6 interactions. These interactions are electrostatically dominated type II halogen bonds between single halogenoalkane molecules and weaker dispersion dominated interactions between the co-crystal components. The observed preferences for benzene for the two binding partners match with calculated molecular electrostatic potentials.

引用

页码：175 / 178

页数：4

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