ISSN:
1432-2234
Keywords:
Bis(aquo) bis(malonato) nickel(II)
;
Ground state triplet
;
Splittings
;
Spin-orbit coupling
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary A simple non-empirical method is applied to calculate the splittings of the ground state triplet, caused by the spin-orbit coupling, in bis(aquo) bis(malonato) nickel(II), allowing for a certain geometry variation. The calculations yield splittings on the order of 10–20 cm−1. The comparison of exact (within model) and second-order perturbation theory calculations indicate that the spin Hamiltonian formalism is valid. The implications of the results for the theory of nuclear spin relaxation in paramagnetic complexes in solution are discussed.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01113386
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