Supramolecular Hierarchy among Halogen-Bond Donors

被引：199
|
作者：
Aakeroey, Christer B. [1 ]
Baldrighi, Michele [2 ]
Desper, John [1 ]
Metrangolo, Pierangelo [2 ]
Resnati, Giuseppe [2 ]
机构：
[1] Kansas State Univ, Dept Chem, Manhattan, KS 66506 USA
[2] Politecn Milan, Dept Chem Mat & Chem Engn Giulio Natta, I-20133 Milan, Italy
来源：
CHEMISTRY-A EUROPEAN JOURNAL | 2013年 / 19卷 / 48期
关键词：
crystal engineering; donor-acceptor systems; halogen bonding; self-assembly; supramolecular chemistry; C-13; NMR; HYDROGEN; COCRYSTALS; DIIODOACETYLENE; COMPLEXES; MOLECULES; CRYSTALS; SOLIDS; FORCES;
D O I：
10.1002/chem.201302162
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Through a combination of structural chemistry, vibrational spectroscopy, and theory, we have systematically examined the relative structure-directing importance of a series of ditopic halogen-bond (XB) donors. The molecular electrostatic potential surfaces of six XB donors were evaluated, which allowed for a charge-based ranking. Each molecule was then co-crystallized with 21 XB acceptors and the results have made it possible to map out the supramolecular landscape describing the competition between I/Br-ethynyl donors, perfluorinated I/Br donors, and I/Br-phenyl based donors. The results offer practical guidelines for synthetic crystal engineering driven by robust and directional halogen bonds.
引用
收藏
页码：16240 / 16247
页数：8
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