title: mu-Acetylide and mu-alkenylidene ligands in "click" triazole syntheses.
abstract: In a computational investigation, dinuclear and tetranuclear copper acetylide complexes display both superior stability and higher reactivity in the CuAAC reaction than do mononuclear complexes due to favored dicopper(I,III) mu-alkenylidene fragments, instead of ring strain in a Cu=C=C intermediate.
authors.affiliation: Freie Universität Berlin, Fabeckstrasse 34-36, 14195 Berlin-Dahlem, Germany. straub@chemie.fu-berlin.de
authors.forename: Bernd F
authors.initials: BF
authors.lastname: Straub
mesh_terms: D000480:Alkynes / Q000737:chemistry*; D003198:Computer Simulation; D003300:Copper / Q000737:chemistry*; D008024:Ligands; D008956:Models, Chemical; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry*; D014230:Triazoles / Q000138:chemical synthesis* / Q000737:chemistry
chemical_list: D000480:Alkynes; D008024:Ligands; D009942:Organometallic Compounds; D014230:Triazoles; D003300:Copper