Isolation of a (Dinitrogen)Tricopper(I) Complex
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https://figshare.com/articles/dataset/Isolation_of_a_Dinitrogen_Tricopper_I_Complex/2250823
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Reaction of a tris(β-diketimine) cyclophane, H3L, with benzyl potassium followed by [Cu(OTf)]2(C6H6) affords a tricopper(I) complex containing a bridging dinitrogen ligand. rRaman (νN–N = 1952 cm–1) and 15N NMR (δ = 303.8 ppm) spectroscopy confirm the presence of the dinitrogen ligand. DFT calculations and QTAIM analysis indicate minimal metal-dinitrogen back-bonding with only one molecular orbital of significant N2(2pπ*) and Cu(3dπ)/Cu(3dσ) character (13.6% N, 70.9% Cu). ∇2ρ values for the Cu–N2 bond critical points are analogous to those for polar closed-shell/closed-shell interactions.
创建时间：
2016-02-16
