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首页> 外文期刊>Journal of structural chemistry >Soft activation of the C-S bond: X-ray diffraction and spectroscopic study of the cluster Ru-4(mu(4)-S)(mu,eta(3)-C3H5)(2)(CO)(12)
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Soft activation of the C-S bond: X-ray diffraction and spectroscopic study of the cluster Ru-4(mu(4)-S)(mu,eta(3)-C3H5)(2)(CO)(12)

机译:C-S键的软激活:簇Ru-4(mu(4)-S)(mu,eta(3)-C3H5)(2)(CO)(12)的X射线衍射和光谱研究

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摘要

The complex Ru-4(mu(4)-S)(mu,eta(3) -C3H5)(2)(CO)(12) is prepared and examined by IR and NMR spectroscopy; its crystal structure is determined (an automatic Bruker-Nonius X8 Apex four-circle diffractometer equipped with a 2-D CCD-detector, 100 K, graphite-monochromated molybdenum source, lambda = 0.71073 angstrom). The crystal belongs to the orthorhombic crystal system with unit cell parameters a = 19.3781(9) angstrom, b = 12.2898(7) angstrom, c = 10.1726(4) angstrom, V = 2422.6(2) angstrom(3), space group Pnma, Z = 4, composition C18H10O12Ru4S, d(x) = 2.343 g/cm(3) stop. The molecule of point symmetry C-1 is situated on the mirror plane of the space group Pnma, two carbonyl groups at Ru2 and Ru3 atoms overlapping with the allylic ligand with a weight of 50% so that carbon atoms coincide. Thus, we have a racemic structure with two overlapping enantiomers of the molecule of Ru-4(mu(4)-S)(mu,eta(3)-C3H5)(2)(CO)(12).
机译:制备Ru-4(mu(4)-S)(mu,eta(3)-C3H5)(2)(CO)(12)络合物,并通过IR和NMR光谱进行检查;确定其晶体结构(装有2-D CCD检测器,100 K,石墨单色铬钼源,λ= 0.71073埃的自动Bruker-Nonius X8 Apex四圆衍射仪)。该晶体属于正交晶系,其晶胞参数a = 19.3781(9)埃,b = 12.2898(7)埃,c = 10.1726(4)埃,V = 2422.6(2)埃(3),空间群Pnma ,Z = 4,组成C18H10O12Ru4S,d(x)= 2.343 g / cm(3)档。点对称的C-1分子位于空间群Pnma的镜像平面上,Ru2和Ru3原子上的两个羰基与烯丙基配体重叠,重量为50%,因此碳原子重合。因此,我们具有Ru-4(mu(4)-S)(mu,eta(3)-C3H5)(2)(CO)(12)分子的两个重叠对映异构体的外消旋结构。

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