Naslov
Static solid state NMR and NQR investigation of niobium halide clusters

Autori
Požek, Miroslav ; Bosiočić, Marko ; Perić, Berislav ; Grbić, Mihael ; Planinić, Pavica ; Gautier Régis

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
2nd Workshop on Recent Advances in Broad-Band Solid-State NMR of Correlated Electronic Systems - Knjiga sažetaka / - Trogir, 2011, P-16

Skup
2nd Workshop on Recent Advances in Broad-Band Solid-State NMR of Correlated Electronic Systems

Mjesto i datum
Trogir, Hrvatska, 04.09.2011. - 09.09.2011

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
ssNMR; niobium; clusters

Sažetak
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

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija

POVEZANOST RADA