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Titolo:
Nuclear spin relaxation in paramagnetic systems with zero-field splitting and arbitrary electron spin
Autore:
Kruk, D; Nilsson, T; Kowalewski, J;
Indirizzi:
Univ Stockholm, Arrhenius Lab, Div Phys Chem, S-10691 Stockholm, Sweden Univ Stockholm Stockholm Sweden S-10691 Chem, S-10691 Stockholm, Sweden
Titolo Testata:
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
fascicolo: 22, volume: 3, anno: 2001,
pagine: 4907 - 4917
SICI:
1463-9076(2001)3:22<4907:NSRIPS>2.0.ZU;2-U
Fonte:
ISI
Lingua:
ENG
Soggetto:
LOW-SYMMETRY COMPLEXES; SLOW-MOTION THEORY; PROTON RELAXATION; CONTRAST AGENTS; NMRD; EPR; ENHANCEMENT; DIFFUSION; DYNAMICS; LIQUIDS;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
37
Recensione:
Indirizzi per estratti:
Indirizzo: Kruk, D Univ Stockholm, Arrhenius Lab, Div Phys Chem, S-10691 Stockholm, Sweden Univ Stockholm Stockholm Sweden S-10691 -10691 Stockholm, Sweden
Citazione:
D. Kruk et al., "Nuclear spin relaxation in paramagnetic systems with zero-field splitting and arbitrary electron spin", PHYS CHEM P, 3(22), 2001, pp. 4907-4917

Abstract

A complete theory for paramagnetic relaxation enhancement (PRE) and its dependence on the magnetic field is developed for systems with electron spin S = 1, 3/2, 2, 5/2, 3 and 7/2, characterised by the presence of zero-field splitting (ZFS). The electron spin interacts through dipole-dipole couplingwith the nuclear spin residing in the paramagnetic complex (the inner-sphere case) as well as outside of it (the outer-sphere case). The earlier theory for S = 1 and inner-sphere interaction only is included as a special case of the present, more general approach. The theory assumes a slow reorientation of the paramagnetic complex and a lack of correlation between the rotation and translation of the complex and the electron spin dynamics. The electron spin energy level structure is determined by a combination of the Zeeman interaction and the static ZFS, and depends thus on the orientation ofthe complex in the magnetic field. The electron spin relaxation is described by a Redfield formulation, using the pseudorotation model for the modulation of the transient zero-field splitting. Illustrative calculations are presented, showing that the typical field dependences of the inner- and outer-sphere relaxation enhancements are in general different. The static ZFS is demonstrated to influence the magnetic field dependences by affecting thefrequencies occurring in the expressions for spectral densities. The modelis applied to interpret the PRE of a slowly-rotating gadolinium(III) complex, a potential magnetic resonance imaging (MRI) contrast agent.

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Documento generato il 23/10/20 alle ore 10:55:41