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学科主题: 物理化学
题名: Beyond the Limits of X-ray Powder Diffraction: Description of the Nonperiodic Subnetworks in Aluminophosphate-Cloverite by NMR Crystallography
作者: Martineau, Charlotte1;  Bouchevreau, Boris1;  Tian, Zhijian2;  Lohmeier, Sven-Jare3;  Behrens, Peter3;  Taulelle, Francis1
通讯作者: Martineau ;  Charlotte
关键词: NMR crystallography ;  generalized crystallography ;  cloverite ;  fluorinated aluminophosphate ;  high-resolution NMR ;  2D correlation
刊名: CHEMISTRY OF MATERIALS
发表日期: 2011-11-08
DOI: 10.1021/cm2021033
卷: 23, 期:21, 页:4799-4809
收录类别: SCI
文章类型: Article
部门归属: 8
项目归属: 802
产权排名: 2,3
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Physical ;  Materials Science, Multidisciplinary
摘要: Beyond the Limits of X-ray Powder Diffraction: Description of the Nonperiodic Subnetworks in Aluminophosphate-Cloverite by NMR Crystallography
研究领域[WOS]: Chemistry ;  Materials Science
英文摘要: NMR crystallography of the fluorinated aluminophosphate cloverite is presented, with an emphasis on the description of the nonperiodic part of the compound, i.e., the fluorine and organic subnetworks, which are very difficult to access by usual X-ray powder diffraction methods. Multinuclear high-resolution 1D Al-27 and P-31 NMR support the main cloverite-type topological features previously proposed for aluminum cloverite from powder X-ray diffraction. Spatial proximities are extracted from the 2D P-31-P-31 and Al-27-P-31 NMR spectra, allowing a full assignment of the P-31 and Al-27 resonances to the corresponding phosphorus and aluminum sites in the structure. To go further into the description of the main periodic framework, C-13, N-15, and H-1 1D and H-1-H-1 and H-1-P-31 2D NMR measurements are employed, allowing the characterization and selective locations of the two costructural-directing agents in the pores and channels of the framework. The nonperiodic fluorine subnetwork is described by means of F-19-X (X = Al-27 and P-31) 2D NMR experiments. Two kinds of fluorine atoms are distinguished: F- ions trapped in D4R units and F atoms covalently bonded to terminal Al or P atoms and which interrupt the AlPO network. Through the example of aluminum cloverite, we show that, despite the considerable complexity of such systems, an extremely detailed structural model can be obtained, including the simple rules that allow the description of the nonperiodic subnetworks that tailor the structure and properties of a compound, by coupling powder X-ray diffraction and high-resolution NMR data in a generalized crystallography approach.
关键词[WOS]: GALLOPHOSPHATE MOLECULAR-SIEVE ;  CRYSTALLINE INORGANIC SOLIDS ;  NUCLEAR-MAGNETIC-RESONANCE ;  INTEGER QUADRUPOLAR NUCLEI ;  MAS NMR ;  GENERALIZED CRYSTALLOGRAPHY ;  SPIN LOCKING ;  MAGIC-ANGLE ;  HETCOR NMR ;  RESOLUTION
语种: 英语
WOS记录号: WOS:000296304100023
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/115722
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Univ Versailles, CNRS, Tectospin Inst Lavoisier Versailles, UMR 8180, F-78035 Versailles, France
2.Dalian Inst Chem Phys, Dalian Natl Lab Clean Energy, State Key Lab Catalysis, Dalian 116023, Peoples R China
3.Leibniz Univ Hannover, Inst Anorgan Chem, D-30167 Hannover, Germany

Recommended Citation:
Martineau, Charlotte,Bouchevreau, Boris,Tian, Zhijian,et al. Beyond the Limits of X-ray Powder Diffraction: Description of the Nonperiodic Subnetworks in Aluminophosphate-Cloverite by NMR Crystallography[J]. CHEMISTRY OF MATERIALS,2011,23(21):4799-4809.
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