Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
109 (1998), S. 6364-6375
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
A generalization of the slow-motion theory of nuclear spin relaxation in paramagnetic systems (S=1) is developed. The new model takes into account the effects of rhombic symmetry in the static zero-field splitting tensor. We also allow the principal axis system of the static zero-field splitting tensor to deviate from the molecule-fixed frame of the dipole–dipole tensor between the nuclear and electron spins. These symmetry-breaking properties have profound effects on the nuclear spin–lattice relaxation rate for some cases. Specifically, the relaxivity is reduced substantially at low magnetic field. Nuclear magnetic relaxation dispersion profiles for a large number of cases are discussed, ranging from slightly asymmetric [low static zero-field splitting (ZFS)] weakly deformable (low transient ZFS) to asymmetric (large static ZFS) highly deformable (large transient ZFS) transition-metal complexes. The dynamical regimes covered for the electron spin range from within the Redfield limit into the slow-motion region. One of the main objectives of this investigation is to provide a standard set of essentially exact calculations using the general slow-motion theory, against which simplified models may be tested. © 1998 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.477279
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