Static solid state NMR and NQR investigation of niobium halide clusters (CROSBI ID 575333)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa
Podaci o odgovornosti
Požek, Miroslav ; Bosiočić, Marko ; Perić, Berislav ; Grbić, Mihael ; Planinić, Pavica ; Gautier Régis
engleski
Static solid state NMR and NQR investigation of niobium halide clusters
Hexanuclear metallic clusters [(M6Li12)La6]n+ (n = 2, 3, 4) are worth studying due to many interesting properties ranging from superconductivity or antiferromagnetism to thermoelectric properties. Physical properties of mettalic halide clusters depend on their oxidation states. The simplest case are diamagnetic (n=2) clusters. They can be taken as reference compounds for study of n=3 clusters which exibit magnetic interactions. To obtain reference NMR parameters, we have studied two diamagnetic clusters, [Nb6Br12(H2O)6][HgBr4]·12H2O, Nb6Cl12(H2O)4(OH)2·4H2O whose structures were previously determined [1]. Static 93Nb and 35Cl NMR powder spectra have been obtained in magnetic field of 12 T. In addition, zero field NQR measurements on 93Nb, 79Br and 81Br have given precise EFG parameters. Independent GIPAW-DFT calculations of NMR and NQR parameters have been conducted using CASTEP-NMR [2] and compared to experimentally obtained parameters. This work has been done using equipment purchased within FP7 project #229390 SOLeNeMaR
ssNMR; niobium; clusters
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Podaci o prilogu
P-16-P-16.
2011.
objavljeno
Podaci o matičnoj publikaciji
2nd Workshop on Recent Advances in Broad-Band Solid-State NMR of Correlated Electronic Systems - Knjiga sažetaka
Trogir:
Podaci o skupu
2nd workshop on Recent advances in broadband solid state NMR of correlated electronic systems
poster
04.09.2011-10.09.2011
Trogir, Hrvatska