Supramolecular Hierarchy among Halogen-Bond Donors

被引：204

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

页码：16240 / 16247

页数：8

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