Bayreuth 1998 – wissenschaftliches Programm
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CP: Chemische Physik
CP 12: Spektroskopie von Molekülen und Kristallen
CP 12.9: Poster
Dienstag, 10. März 1998, 18:00–20:00, P1
Unambigious assignment of 31P and 113Cd resonances in polycrystalline Cd3(PO4)2 from 31P spin diffusion and selective 31P-113Cd CP/MAS NMR experiments — •Stephan Dusold, Jörg Kümmerlen, Torsten Schaller, Angelika Sebald, and Wayne Dollase — Bayerisches Geoinstitut, Universität Bayreuth
Two-dimensional 31P spin diffusion MAS NMR experiments on polycrystalline Cd3(PO4)2 , using a broadbanded dipolar recoupling scheme, are reported. Quantitative analysis of the spin diffusion experiments as a function of mixing times yields unambiguous assignment of the six 31P resonances to the six independent crystallographic P sites in the asymmetric unit of solid Cd3(PO4)2 . Internuclear P-P connectivities determined from these 31P spin diffusion MAS NMR experiments agree within 5 % with the P-P distances as determined by single-crystal X-ray diffraction. Based on the known assignment of all 31P resonances for Cd3(PO4)2 , all 113Cd resonances can be unambiguously assigned to the respective nine independent crystallographic Cd sites, using one-dimensional selective 31P-113Cd CP/MAS NMR techniques where a 31P chemical shift filter is used as a preparation step for selective 31P-113Cd cross polarization.