Electron spin relaxation at low field
(2010) In Physical Chemistry Chemical Physics 12(1). p.201206 Abstract
 The low field ESR lineshape and the electron spinlattice 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 <Sn(1)(0)Sn(1)(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... (More)
 The low field ESR lineshape and the electron spinlattice 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 <Sn(1)(0)Sn(1)(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, T1 and T2, and the ESR lineshape function I(omega). In particular, the Lband (B0 = 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 Lband spectrum becomes similar to the zerofield spectrum with a electron spin relaxation time tau(S) = (4D(R))(1). (Less)
Please use this url to cite or link to this publication:
http://lup.lub.lu.se/record/1535598
 author
 Westlund, PerOlof and Wennerström, Håkan ^{LU}
 organization
 publishing date
 2010
 type
 Contribution to journal
 publication status
 published
 subject
 in
 Physical Chemistry Chemical Physics
 volume
 12
 issue
 1
 pages
 201  206
 publisher
 Royal Society of Chemistry
 external identifiers

 wos:000272589000022
 scopus:72949083284
 ISSN
 14639084
 DOI
 10.1039/b916999g
 language
 English
 LU publication?
 yes
 id
 c01a3f4073274d67ac2d6f6140909507 (old id 1535598)
 date added to LUP
 20100125 15:54:05
 date last changed
 20180107 06:56:24
@article{c01a3f4073274d67ac2d6f6140909507, abstract = {The low field ESR lineshape and the electron spinlattice 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 <Sn(1)(0)Sn(1)(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, T1 and T2, and the ESR lineshape function I(omega). In particular, the Lband (B0 = 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 Lband spectrum becomes similar to the zerofield spectrum with a electron spin relaxation time tau(S) = (4D(R))(1).}, author = {Westlund, PerOlof and Wennerström, Håkan}, issn = {14639084}, language = {eng}, number = {1}, pages = {201206}, publisher = {Royal Society of Chemistry}, series = {Physical Chemistry Chemical Physics}, title = {Electron spin relaxation at low field}, url = {http://dx.doi.org/10.1039/b916999g}, volume = {12}, year = {2010}, }