Department of Chemistry, Massachusetts Institute of Technology, 6-355, 77 Mass Ave., Cambridge, MA 02139-4307, USA.
Dalton Trans. 2013 Feb 21;42(7):2355-7. doi: 10.1039/c2dt32885b. Epub 2013 Jan 2.
Photolysis of Ni(II)(μ-Cl)Cl(IPr) (IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene) activates the Ni-Cl bonds to furnish Ni(I)(μ-Cl)(IPr). 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.
[Ni(II)(μ-Cl)Cl(IPr)]₂（IPr=1,3-双(2,6-二异丙基苯基)咪唑-2-亚基）的光解可使 Ni-Cl 键活化，生成[Ni(I)(μ-Cl)(IPr)]₂。该光化学反应一致，对平面正方形 Ni(ii)中心的 TD-DFT 计算表明，光激发导致具有 σ*(Ni-Cl)特征的轨道的电子占据。
