title: Photoactivation of metal-halogen bonds in a Ni(II) NHC complex.
abstract: Photolysis of [Ni(II)(μ-Cl)Cl(IPr)](2) (IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene) activates the Ni-Cl bonds to furnish [Ni(I)(μ-Cl)(IPr)](2). Consistent with this photochemistry, a TD-DFT calculation for square planar Ni(ii) centre reveals that light excitation leads to the population of orbitals with σ*(Ni-Cl) character.
authors.affiliation: Department of Chemistry, Massachusetts Institute of Technology, 6-355, 77 Mass Ave., Cambridge, MA 02139-4307, USA.
authors.forename: Chang Hoon
authors.initials: CH
authors.lastname: Lee
authors.forename: Daniel A
authors.initials: DA
authors.lastname: Lutterman
authors.forename: Daniel G
authors.initials: DG
authors.lastname: Nocera
mesh_terms: D002712:Chlorides / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D015394:Molecular Structure; D009532:Nickel / Q000737:chemistry*; D009942:Organometallic Compounds / Q000737:chemistry*; D055668:Photochemical Processes; D011789:Quantum Theory
chemical_list: D002712:Chlorides; D009942:Organometallic Compounds; D009532:Nickel