Influence of non-bridging donor atoms on the value of exchange interaction in binuclear Cu{sup II} complexes with bis-hydrazones based on 2,6-diformylphenol

Journal Article · Sun Jul 15 04:00:00 EDT 2018 · Russian Chemical Bulletin

DOI:https://doi.org/10.1007/S11172-018-2197-1· OSTI ID:22863327

Levchenkov, S. I. ^[1]

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1. Southern Federal University (Russian Federation)

The quantum chemical simulation of exchange interaction according to the broken symmetry approach was performed for a series of binuclear Cu{sup II} complexes containing the asymmetric exchange moiety based on bis-hydrazones of 2,6-diformylphenol. The calculated values were compared between themselves and with the experimental values of the exchange parameter 2J for the binuclear copper(II) complexes with bis-hydrazones based on 2,6-diformylphenol in order to reveal the influence pattern of the nature of nonbridging donor atoms X (O, N, S, and Se) onto the exchange interaction. The strength of exchange interaction of the antiferromagnetic type depends significantly on the nature of nonbridging donor atoms, increasing in the series of X = O, NH, S, and Se.

• OSTI ID: 22863327
• Journal Information: Russian Chemical Bulletin, Journal Name: Russian Chemical Bulletin Journal Issue: 7 Vol. 67; ISSN RCBUEY; ISSN 1066-5285
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
ANTIFERROMAGNETISM
ASYMMETRY
CHEMISTRY
COPPER COMPLEXES
DENSITY FUNCTIONAL METHOD
EXCHANGE INTERACTIONS
HYDRAZONES
PHENOLS
SIMULATION
SYMMETRY BREAKING