Structure calculation of an elastic hydrogel from sonication of rigid small molecule components

被引：104

作者：

Anderson, Kirsty M. ^{[1
]}

Day, Graeme M. ^{[2
]}

Paterson, Martin J. ^{[3
]}

Byrne, Peter ^{[1
]}

Clarke, Nigel ^{[1
]}

Steed, Jonathan W. ^{[1
]}

机构：

[1] Univ Durham, Dept Chem, Durham DH1 3LE, England

[2] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England

[3] Heriot Watt Univ, Sch Engn & Phys, Dept Chem, Edinburgh EH14 4AS, Midlothian, Scotland

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2008年 / 47卷 / 06期

基金：

英国工程与自然科学研究理事会;

关键词：

crystal engineering; gels; hydrogen bonds; sonication; structure elucidation;

D O I：

10.1002/anie.200703785

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Chemical Equation Presented) Making plans for hydrogels: Calculations successfully predict the molecular structure of a robust hydrogel. Melamine and uric acid cocrystallize with water upon sonication, and using experimental data, the minimized structure (see picture) was calculated and successfully compared with powder X-ray diffraction data of the xerogel. © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：1058 / 1062

页数：5

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