화학공학소재연구정보센터
Journal of the American Chemical Society, Vol.136, No.39, 13502-13505, 2014
Isolation of a (Dinitrogen)Tricopper(I) Complex
Reaction of a tris(beta-diketimine) cyclophane, H3L, with benzyl potassium followed by [Cu(OTf)](2)(C6H6) affords a tricopper(I) complex containing a bridging dinitrogen ligand. rRaman (nu NN = 1952 cm(1)) and N-15 NMR (delta = 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(2p pi* and Cu(3d pi)/Cu(3d sigma) character (13.6% N, 70.9% Cu). del(2)rho lues for the CuN2 bond critical points are analogous to those for polar closed-shell/closed-shell interactions.