Binuclear copper(ii) and nickel(ii) complexes based on N,N′-bis(3-formyl-5-tert-butylsalicylidene)-1,3-diaminopropan-2-ol: physicochemical and theoretical study
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- Levchenkov, S.I., Shcherbakov, I.N., Popov, L.D. et al. Russ Chem Bull (2014) 63: 673. doi:10.1007/s11172-014-0490-1
Binuclear CuII and NiII complexes with exogenous acetate and pyrazolate bridges were synthesized and studied. It was shown that the μ2-coordination of the DMSO molecule in an acetate-bridged CuII complex leads to the inversion of the sign of the exchange interaction parameter. Quantum chemical calculations of the geometry of the complexes and the magnetic exchange parameters showed that the role of the DMSO molecule is to stabilize the “distorted” conformation of metallocycles.
Key wordsSchiff bases binuclear complexes magnetochemistry exchange coupling quantum chemical calculations density functional theory broken symmetry approach
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