title: Isolation of a (dinitrogen)tricopper(I) complex.
abstract: 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 (15)N 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). ∇(2)ρ values for the Cu-N2 bond critical points are analogous to those for polar closed-shell/closed-shell interactions.
authors.affiliation: Department of Chemistry, Center for Catalysis, University of Florida , Gainesville, Florida 32611, United States.
authors.forename: Leslie J
authors.initials: LJ
authors.lastname: Murray
authors.forename: Walter W
authors.initials: WW
authors.lastname: Weare
authors.forename: Jason
authors.initials: J
authors.lastname: Shearer
authors.forename: Alyssa D
authors.initials: AD
authors.lastname: Mitchell
authors.forename: Khalil A
authors.initials: KA
authors.lastname: Abboud