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Electron spin relaxation at low field

Westlund, Per-Olof and Wennerström, Håkan LU (2010) In Physical Chemistry Chemical Physics 12(1). p.201-206
Abstract
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-n(1)(0)S-n(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 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-n(1)(0)S-n(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, 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). (Less)
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author
organization
publishing date
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
1463-9084
DOI
10.1039/b916999g
language
English
LU publication?
yes
id
c01a3f40-7327-4d67-ac2d-6f6140909507 (old id 1535598)
date added to LUP
2010-01-25 15:54:05
date last changed
2018-05-29 09:54:08
@article{c01a3f40-7327-4d67-ac2d-6f6140909507,
  abstract     = {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 &lt;S-n(1)(0)S-n(1)(t)&gt; (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).},
  author       = {Westlund, Per-Olof and Wennerström, Håkan},
  issn         = {1463-9084},
  language     = {eng},
  number       = {1},
  pages        = {201--206},
  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},
}