【摘要】 Cp3Tm和HSBT(HSBT =2 巯基苯并噻唑 )在THF中反应 ,生成Cp2 Tm (SBT) (THF)(TmS2 NOC2 1 H2 2 Mr=537.47) ,该晶体为正交晶系 ,空间点群为P2 1 2 1 2 1 ,晶胞参数a =1 4 734(7) ,b=1 0 .680 (1 ) ,c =1 2 .82 0 (4) ,V =2 0 1 7(3) 3,Z =4,Dc=1 .77g/cm3,F(0 0 0 ) =1 0 56,μ(MoKα) =46.53cm- 1 ,独立反射点数为 2 2 77,其中I >3σ(I)的可观测点为 1 854个 ,最终偏离因子R =0 .0 50 ,Rw=0 .0 67。晶体结构显示 ,该化合物为单体结构 ,中心铥原子分别与两个茂基、苯并噻唑 2 烃硫基上的硫原子和氮原子以及一个四氢呋喃分子配位 ,形成一个变形的三角双锥构型。更多还原

【Abstract】 C 5H 5) 3Tm reacted with equimolar of 2 mercapto benzothiazole (HSBT) in THF at room temperature to give (C 5H 5) 2Tm(SBT)(THF)(TmC 21 H 22 ONS 2 M r =537.47), which crystallized in the orthorhombic system space group P2 12 12 1 with unit cell dimensions a=14.734(7), b=10.680(1), c=12.820(4), V=2017(3) 3, Z= 4, D c =1.77g/cm 3, F (000)=1056, and μ =46.53cm -1 . Least squares refinement of the model based on 1854 reflections with I>3σ(I ) converged to the final factor R=0.050,R w =0.067. The crystal structure analysis showed that in the complex each thulium ion is coordinated by two η 5 cyclopentadienyl groups, one oxygen atom of THF, one sulfur and one nitrogen atoms from the chelating benzothiazole 2 thiolate ligand to form a distorted trigonal bipyramidal geometry.更多还原