金属铱(Ⅲ)配合物(btfmp)_2Ir(dbm)单晶结构及表征

Crystal Structure and Characterization of an Iridium(Ⅲ) Complex:(btfmp)_2Ir(dbm)

通过升华法生长出铱(Ⅲ)配合物(btfmp)2Ir(dbm)(btfmp=2-苯并噻吩-5-三氟甲基吡啶,dbm=二苯甲酰甲烷)红色单晶,并对其进行了元素分析、核磁、质谱、红外光谱表征及X射线单晶衍射测试.该配合物属于单斜晶系,空间群P2(1)/c,晶胞参数a=11.776(3),b=29.409(7),c=11.515(3),α=γ=90°,β=102.730(3)°,V=3889.9(15)3,Z=4,Dc=1.660 g/cm3,F(000)=1904,μ(MoKa)=3.608 mm-1,R=0.0784 andwR=0.1373.该配合物呈现近似八面体配位模式.

Red single crystals of an iridium （Ⅲ） complex, [ （btfmp）2Ir（dbm）] （btfmp = 2-（benzo[b]thio-phen-2-yl）- 5-（trifluoromethyl） pyridine, dbm = dibenzoylmethane）, were grown from sublimation, and characterized by elemental analysis, NMR, Ms, IR and single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P2 （1）/c with α=11.776（3）A,b=29.409（7）A,c=11.515（3）A,α=γ=90°,β=102.730（3）°,V=3889.9（15）A^3,Z=4,Dc=1.660g/cm^3,F（000）=1904,μ（MoKa）=3.608mm^-1.,R=0.078 4and wR=0.1373. The iridium complex shows an approximately octahedral coordination geometry.