NMR crystallography driven structure determination: nanoporous materials

被引：32

作者：

Taulelle, Francis ^{[1
,2
]}

Bouchevreau, Boris ^{[1
]}

Martineau, Charlotte ^{[1
]}

机构：

[1] Univ Versailles St Quentin Yvelines, Inst Lavoisier, F-78035 Versailles, France

[2] Katholieke Univ Leuven, Dept Microbial & Mol Syst, Ctr Surface Chem & Catalysis, B-3001 Heverlee, Belgium

来源：

CRYSTENGCOMM | 2013年 / 15卷 / 43期

关键词：

SOLID-STATE NMR; METAL-ORGANIC FRAMEWORKS; ALUMINUM TEREPHTHALATE MIL-53; ZEOLITE CRYSTAL-STRUCTURES; POWDER DIFFRACTION DATA; CHEMICAL-SHIFT TENSORS; AB-INITIO CALCULATIONS; IN-SITU NMR; STRUCTURE REFINEMENT; QUADRUPOLAR NUCLEI;

D O I：

10.1039/c3ce41178h

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A summary of the recent results obtained in the field of NMR crystallography of nanoporous materials is proposed, and new original methods and strategies to perform NMR crystallography driven structure determination are presented. Although the work to reach structure resolution of a powder is much more difficult than for a single crystal, the use of NMR data associated with diffraction methods and modelling has provided significant successes in this domain. However, a general method to combine the different measurements, and overcome their respective limitations, has been only recently proposed. The structure search can therefore be organized to converge to possible structure models. This is of utmost importance for the structure determination of complex nanoporous crystals.

引用

页码：8613 / 8622

页数：10

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