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Pregled bibliografske jedinice broj: 525347

Static ssNMR and NQR investigation of hexanuclear metallic clusters


Bosiočić, Marko; Perić, Berislav; Požek, Miroslav; Grbić, Mihael; Planinić, Pavica; Gautier Régis
Static ssNMR and NQR investigation of hexanuclear metallic clusters // EUROMAR 2011 : Magnetic Resonance Conference : Knjiga sažetaka
Frankfurt am Main, 2011. str. 302-302 (poster, nije recenziran, sažetak, znanstveni)


CROSBI ID: 525347 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Static ssNMR and NQR investigation of hexanuclear metallic clusters

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

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

Izvornik
EUROMAR 2011 : Magnetic Resonance Conference : Knjiga sažetaka / - Frankfurt am Main, 2011, 302-302

Skup
EUROMAR 2011 : Magnetic Resonance Conference

Mjesto i datum
Frankfurt na Majni, Njemačka, 21-25.08.2011

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 their interesting physical properties which depend on oxidation states n as well as on dimensionality of structures they form. They consist of six metallic atoms M (Nb or Ta), twelve inner ligands Li (usually Cl or Br) and six apical ligands La (H2O, OH, CH3OH, Cl...). Especially interesting are paramagnetic clusters with n=3 which have one unpaired electron delocalised over whole cluster unit [1]. Here we present both theoretical NMR/NQR calculations and experimental results on two diamagnetic clusters [Nb6Br12(H2O)6][HgBr4]·12H2O, Nb6Cl12(H2O)4(OH)2·4H2O and paramagnetic one [Et4N][Ta6Br12(H2O)6]Br4·4H2O whose structures were previously determined [2]. Static 93Nb and 35Cl NMR spectra were obtained in 12 T field. Zero field NQR measurements on 93Nb, 79Br and 81Br were performed in order to fix EFG parameters for simulation of NMR spectra [3]. Independent GIPAW-DFT calculations of NMR/NQR parameters using CASTEP [4] are in good agreement with experimental results. This presentation is enabled by the European commission through FP7 project #229390 SOLeNeMaR.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija



POVEZANOST RADA


Projekti:
098-0982904-2946 - Višenuklearni metalni sustavi: sinteza i svojstva (Perić, Berislav, MZOS ) ( POIROT)
119-1191458-1022 - Mikrovalna istraživanja novih materijala (Požek, Miroslav, MZOS ) ( POIROT)

Ustanove:
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Zagreb

Citiraj ovu publikaciju:

Bosiočić, Marko; Perić, Berislav; Požek, Miroslav; Grbić, Mihael; Planinić, Pavica; Gautier Régis
Static ssNMR and NQR investigation of hexanuclear metallic clusters // EUROMAR 2011 : Magnetic Resonance Conference : Knjiga sažetaka
Frankfurt am Main, 2011. str. 302-302 (poster, nije recenziran, sažetak, znanstveni)
Bosiočić, M., Perić, B., Požek, M., Grbić, M., Planinić, P. & Gautier Régis (2011) Static ssNMR and NQR investigation of hexanuclear metallic clusters. U: EUROMAR 2011 : Magnetic Resonance Conference : Knjiga sažetaka.
@article{article, year = {2011}, pages = {302-302}, keywords = {ssNMR, niobium, clusters}, title = {Static ssNMR and NQR investigation of hexanuclear metallic clusters}, keyword = {ssNMR, niobium, clusters}, publisherplace = {Frankfurt na Majni, Njema\v{c}ka} }
@article{article, year = {2011}, pages = {302-302}, keywords = {ssNMR, niobium, clusters}, title = {Static ssNMR and NQR investigation of hexanuclear metallic clusters}, keyword = {ssNMR, niobium, clusters}, publisherplace = {Frankfurt na Majni, Njema\v{c}ka} }




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