Self-assembly of the rigid rodlike ligand N,N′-4,4′-diphenylethynebis(oxamate) (dpeba) and Cu2+ ions affords a novel dinuclear copper(II) metallacyclophane (nBu4N)4[Cu2(dpeba)2]·4MeOH·2Et2O (1) featuring a very long intermetallic distance (r = 15.0 Å). Magnetic susceptibility measurements for 1 reveal a moderately weak but nonnegligible intramolecular antiferromagnetic coupling between the two metal centers across the double para substituted diphenylethynediamidate bridge (J = −3.9 cm−1; H = −JS1S2, where S1 = S2 = SCu = 1/2). Density functional electronic structure calculations on 1 support the occurrence of a spin polarization mechanism.

Very Long-Distance Magnetic Coupling in a Dinuclear Copper(II) Metallacyclophane with Extended π-Conjugated para-substituted Diphenylethyne Bridges

ARMENTANO, Donatella;DE MUNNO G;
2011

Abstract

Self-assembly of the rigid rodlike ligand N,N′-4,4′-diphenylethynebis(oxamate) (dpeba) and Cu2+ ions affords a novel dinuclear copper(II) metallacyclophane (nBu4N)4[Cu2(dpeba)2]·4MeOH·2Et2O (1) featuring a very long intermetallic distance (r = 15.0 Å). Magnetic susceptibility measurements for 1 reveal a moderately weak but nonnegligible intramolecular antiferromagnetic coupling between the two metal centers across the double para substituted diphenylethynediamidate bridge (J = −3.9 cm−1; H = −JS1S2, where S1 = S2 = SCu = 1/2). Density functional electronic structure calculations on 1 support the occurrence of a spin polarization mechanism.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.11770/158716
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