庚烯配位的羰基钌氢簇合物H_3Ru_3(CO)_9[C_7H_(11)]的合成及晶体结构

Synthesis and Crystallographic Structure of Substituted Dodecacarbonyltriruthenium by Heptene Hydride Cluster H_3Ru_3(CO)_9(C_7H_(11))

本文合成了庚烯配位的羰基钌氢簇合物H_3Ru_3(CO)_9(C_7H_(11)),用IR、NMR、MS和元素分析等手段对此簇合物进行了结构表征,推测其为含有金属-氢键的羰基钌簇合物,并且庚烯的双键被打开,X射线衍射测定进一步肯定了上述结论.簇合物为三斜晶系,空间群为PI 晶胞参数:a=0.9726(2)nm,b=0.9868(1)nm,c=1.1104(2)nm,α=103.22(1)°,β=89.89(1)°,γ=91.55(1)°,V =1.0370(3)nm^3,Z=2, μ=21.59cm^(-1),D_σ=2.09g/cm^3,F(000)=628,最终偏差因子R=0.

Substituted dodecacarbonyltriruthenium by heptene has been synthesized from the reaction of heptene and dodecacarbonyltriruthenium in octane. The structure of the product is speculated by the analysis of IE, 1H NMR, 13C NMR, MS and elementary analysis. It is a hydride. The double bond in heptene has been opened. An X ray diffraction of the product has unequivocally established its structure. The cluster is triclinic space, and the space group is PI. a=0.9726(2)nm, b=0.9868(l)nm, c= 1.1104 (2) nm, α=103.22(1)°, β= 89.89(1)°,γ= 91.55(1) oooooo, V = 1.0870 (3) nm3, Z=2, μ=21.69cm-1, Dc=2.09g/cm3,.F(000) = 628, R=0.0871.