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Titolo: Nuclear spin relaxation in paramagnetic systems with zerofield splitting and arbitrary electron spin
Autore: Kruk, D; Nilsson, T; Kowalewski, J;
 Indirizzi:
 Univ Stockholm, Arrhenius Lab, Div Phys Chem, S10691 Stockholm, Sweden Univ Stockholm Stockholm Sweden S10691 Chem, S10691 Stockholm, Sweden
 Titolo Testata:
 PHYSICAL CHEMISTRY CHEMICAL PHYSICS
fascicolo: 22,
volume: 3,
anno: 2001,
pagine: 4907  4917
 SICI:
 14639076(2001)3:22<4907:NSRIPS>2.0.ZU;2U
 Fonte:
 ISI
 Lingua:
 ENG
 Soggetto:
 LOWSYMMETRY COMPLEXES; SLOWMOTION 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, S10691 Stockholm, Sweden Univ Stockholm Stockholm Sweden S10691 10691 Stockholm, Sweden



 Citazione:
 D. Kruk et al., "Nuclear spin relaxation in paramagnetic systems with zerofield splitting and arbitrary electron spin", PHYS CHEM P, 3(22), 2001, pp. 49074917
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 zerofield splitting (ZFS). The electron spin interacts through dipoledipole couplingwith the nuclear spin residing in the paramagnetic complex (the innersphere case) as well as outside of it (the outersphere case). The earlier theory for S = 1 and innersphere 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 zerofield splitting. Illustrative calculations are presented, showing that the typical field dependences of the inner and outersphere 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 slowlyrotating 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