title: A new class of (mu-eta2:eta2-disulfido)dicopper complexes: synthesis, characterization, and disulfido exchange.
abstract: Rare examples of (mu-eta2:eta2-disulfido)dicopper complexes have been prepared from Cu(I) and Cu(II) complexes of beta-diketiminate and anilido-imine supporting ligands. A novel byproduct derived from sulfur functionalization of the methine position of a beta-diketiminate ligand was identified. DFT calculations on [(LCu)2X2] (L = beta-diketiminate, X = O or S) complexes rationalize the absence of a bis(mu-sulfido)dicopper isomer, [Cu2(mu-S)2](2+), in the synthetic reactions, yet predict that a [Cu2(mu-S)2](0) core is a stable product of 2-electron reduction of the [Cu2(mu-eta2:eta2-S2)](2+) unit. Exchange of the disulfido ligand was discovered upon reaction of a (mu-eta2:eta2-disulfido)dicopper complex with a Cu(I) reagent.
authors.affiliation: Department of Chemistry and Center for Metals in Biocatalysis, University of Minnesota, 207 Pleasant Street SE, Minneapolis, MN 55455, USA.
authors.forename: Eric C
authors.initials: EC
authors.lastname: Brown
authors.forename: Nermeen W
authors.initials: NW
authors.lastname: Aboelella
authors.forename: Anne M
authors.initials: AM
authors.lastname: Reynolds
authors.forename: Gabriel
authors.initials: G
authors.lastname: Aullón
authors.forename: Santiago
authors.initials: S
authors.lastname: Alvarez
authors.forename: William B
authors.initials: WB
authors.lastname: Tolman
mesh_terms: D003300:Copper / Q000737:chemistry*; D018360:Crystallography, X-Ray; D007097:Imines / Q000737:chemistry; D008024:Ligands; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000138:chemical synthesis*; D010084:Oxidation-Reduction; D010100:Oxygen / Q000737:chemistry; D013237:Stereoisomerism; D013455:Sulfur / Q000737:chemistry*
chemical_list: D007097:Imines; D008024:Ligands; D009942:Organometallic Compounds; D013455:Sulfur; D003300:Copper; D010100:Oxygen