DICP OpenIR
Subject Area物理化学
Beyond the Limits of X-ray Powder Diffraction: Description of the Nonperiodic Subnetworks in Aluminophosphate-Cloverite by NMR Crystallography
Martineau, Charlotte1; Bouchevreau, Boris1; Tian, Zhijian2; Lohmeier, Sven-Jare3; Behrens, Peter3; Taulelle, Francis1; Martineau; Charlotte
KeywordNmr Crystallography Generalized Crystallography Cloverite Fluorinated Aluminophosphate High-resolution Nmr 2d Correlation
Source PublicationCHEMISTRY OF MATERIALS
2011-11-08
ISSN待补充
DOI10.1021/cm2021033
Volume23Issue:21Pages:4799-4809
Indexed BySCI
SubtypeArticle
Department8
Funding Project802
Contribution Rank2,3
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
WOS SubjectChemistry, Physical ; Materials Science, Multidisciplinary
WOS Research AreaChemistry ; Materials Science
WOS KeywordGALLOPHOSPHATE MOLECULAR-SIEVE ; CRYSTALLINE INORGANIC SOLIDS ; NUCLEAR-MAGNETIC-RESONANCE ; INTEGER QUADRUPOLAR NUCLEI ; MAS NMR ; GENERALIZED CRYSTALLOGRAPHY ; SPIN LOCKING ; MAGIC-ANGLE ; HETCOR NMR ; RESOLUTION
AbstractBeyond the Limits of X-ray Powder Diffraction: Description of the Nonperiodic Subnetworks in Aluminophosphate-Cloverite by NMR Crystallography; 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.
Language英语
WOS IDWOS:000296304100023
Citation statistics
Cited Times:32[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/115722
Collection中国科学院大连化学物理研究所
Corresponding AuthorMartineau; Charlotte
Affiliation1.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
GB/T 7714
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.
APA Martineau, Charlotte.,Bouchevreau, Boris.,Tian, Zhijian.,Lohmeier, Sven-Jare.,Behrens, Peter.,...&Charlotte.(2011).Beyond the Limits of X-ray Powder Diffraction: Description of the Nonperiodic Subnetworks in Aluminophosphate-Cloverite by NMR Crystallography.CHEMISTRY OF MATERIALS,23(21),4799-4809.
MLA Martineau, Charlotte,et al."Beyond the Limits of X-ray Powder Diffraction: Description of the Nonperiodic Subnetworks in Aluminophosphate-Cloverite by NMR Crystallography".CHEMISTRY OF MATERIALS 23.21(2011):4799-4809.
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