Russian Chemical Bulletin

, Volume 63, Issue 3, pp 673–683

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

  • S. I. Levchenkov
  • I. N. Shcherbakov
  • L. D. Popov
  • Yu. P. Tupolova
  • K. Yu. Suponitskii
  • M. I. Mazuritskii
  • V. A. Kogan
Full Articles

DOI: 10.1007/s11172-014-0490-1

Cite this article as:
Levchenkov, S.I., Shcherbakov, I.N., Popov, L.D. et al. Russ Chem Bull (2014) 63: 673. doi:10.1007/s11172-014-0490-1

Abstract

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 words

Schiff bases binuclear complexes magnetochemistry exchange coupling quantum chemical calculations density functional theory broken symmetry approach 

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Copyright information

© Springer Science+Business Media New York 2014

Authors and Affiliations

  • S. I. Levchenkov
    • 1
  • I. N. Shcherbakov
    • 2
  • L. D. Popov
    • 2
  • Yu. P. Tupolova
    • 2
  • K. Yu. Suponitskii
    • 3
  • M. I. Mazuritskii
    • 2
  • V. A. Kogan
    • 2
  1. 1.Southern Scientific Center of Russian Academy of SciencesRostov-on-DonRussian Federation
  2. 2.Department of ChemistrySouthern Federal UniversityRostov-on-DonRussian Federation
  3. 3.A. N. Nesmeyanov Institute of Organoelement CompoundsRussian Academy of SciencesMoscowRussian Federation

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