ANALYTICAL APPROXIMATION OF THE CONFORMATIONAL DEPENDENCE OF THE EXCHANGE INTERACTION PARAMETERS FOR AXIALLY COORDINATED CU(II) COMPLEXES WITH NITROXIDES
Sa. Malinovskaya et al., ANALYTICAL APPROXIMATION OF THE CONFORMATIONAL DEPENDENCE OF THE EXCHANGE INTERACTION PARAMETERS FOR AXIALLY COORDINATED CU(II) COMPLEXES WITH NITROXIDES, Journal of structural chemistry, 36(1), 1995, pp. 23-28
Analytical expressions relating the exchange parameters to the geometr
ical characteristics that determine the position of the radical fragme
nt > N-O in axially coordinated Cu(II) completes are derived from the
results of quantum chemical calculations. The contributions of the del
ocalization (major) and direct (minor) mechanisms are considered. The
expressions are tested by application to some complexes with known geo
metrical structures.