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Electron spin relaxation at low field
Umeå University, Faculty of Science and Technology, Department of Chemistry.
Division of Physical Chemistry, Chemical Center, Lund University.
2010 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 12, no 1, 201-206 p.Article in journal (Refereed) Published
Abstract [en]

The low field ESR lineshape and the electron spin-lattice relaxation correlation function are calculated using the stochastic Liouville theory for an effective electron spin quantum number S = 1. When an axially symmetric permanent zero field splitting provides the dominant relaxation mechanism, and when it is much larger than the rotational diffusion constant, it is shown that both electron spin correlation functions S(0)S(t) (n = 0,1) are characterized by the same relaxation time tau(S) = (4D(R))(-1). This confirms the conjectures made by Schaefle and Sharp, J. Chem. Phys., 2004, 121, 5287 and by Fries and Belorizky, J. Chem. Phys., 2005, 123, 124510, based on numerical results using a different formalism. The stochastic Liouville approach also gives the paramagnetically enhanced nuclear spin relaxation time constants, T(1) and T(2), and the ESR lineshape function I(omega). In particular, the L-band (B(0) = 0.035 T) ESR spectrum of a low symmetry Ni(ii)-complex with a cylindrical ZFS tensor is shown to be detectable at sufficiently slowly reorientation of the complex. The analysis shows that the L-band spectrum becomes similar to the zero-field spectrum with a electron spin relaxation time tau(S) = (4D(R))(-1).

Place, publisher, year, edition, pages
2010. Vol. 12, no 1, 201-206 p.
National Category
Chemical Sciences
URN: urn:nbn:se:umu:diva-36551DOI: 10.1039/b916999gISI: 000272589000022PubMedID: 20024460OAI: diva2:354690
Available from: 2010-10-04 Created: 2010-10-04 Last updated: 2011-10-14Bibliographically approved

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Westlund, Per-Olof
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