Very Long-Distance Magnetic Coupling in a Dicopper(II) Metallacyclophane with Extended π-Conjugated Diphenylethyne Bridges
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https://figshare.com/articles/dataset/Very_Long_Distance_Magnetic_Coupling_in_a_Dicopper_II_Metallacyclophane_with_Extended_Conjugated_Diphenylethyne_Bridges/2581597
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资源简介：
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.
创建时间：
2016-02-22
