Premium
A set of two‐dimensional solid‐state NMR experiments providing topological information for structure refinement of TMP‐GaPO
Author(s) -
Munch Vincent,
Taulelle Francis,
Loiseau Thierry,
Férey Gérard,
Cheetham Anthony K.,
Weigel Scott,
Stucky Galen D.
Publication year - 1999
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/(sici)1097-458x(199912)37:13<s100::aid-mrc570>3.0.co;2-k
Subject(s) - chemistry , solid state nuclear magnetic resonance , set (abstract data type) , solid state , topology (electrical circuits) , computational chemistry , chemical physics , crystallography , nuclear magnetic resonance , combinatorics , physics , mathematics , computer science , programming language
A procedure for structural characterization based on X‐ray diffraction (XRD) and on a set of two‐dimensional solid‐state NMR experiments is proposed. It has been applied to a new gallophosphate oxyfluorinated compound, T(T = amine)—GaPO [Ga 4 (PO 4 ) 3 (HPO 4 )F 3· T]. To complement and validate structural information obtained by XRD, a set of three solid‐state NMR experiments—RFDR for fluorine‐19, double quanta for phosphorus‐31 and HETCOR between fluorine and phosphorus—facilitate the analysis of the topology of homoatomic and heteroatomic sub‐networks of fluorine and phosphorus included in the inorganic framework of this material. The efficiency of this combination of NMR experiments in assigning all NMR signals to their crystallographically sites is also demonstrated. Copyright © 1999 John Wiley & Sons, Ltd.