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本文研究的钼簇合物晶体呈橙黄色菱形片状,属单斜晶系。晶胞参数:a=8.253(5)。b=21.018(10),c=21.531(17)(A),β=90.89(6)(~0),矿=3734(7)(o~A~3),z=4,D_c=1.934g·cm~3。晶体空问群为P2_1/n。晶体结构通过直接法和Fourier合成法解出,偏离因子R=0.061。结果表明,晶体系由兰核钼簇中性分子所组成,分子中三重桥氧将呈等边三角形的三核钼联结起来,每两个钼原子之间还有一个双硫基团作为二重桥,其中一个S原子基本上与三核钼共面,另一个处在平面外与三重桥氧相对的另一侧,此外每个钼原子还由一个[S_2P(DEt)2]~-基团中的两个S原予补充端基配位,使钼原予的局部配位接近于五角双锥。另外,有一个氯原子将位于[Mo_3]平面外的三个S原子联结,S-Cl之间有微弱成键作用。
The molybdenum cluster crystals studied in this paper have an orange-yellow rhombic shape and are monoclinic. Cell parameters: a = 8.253 (5). β = 90.89 (6) (~ 0), ore = 3734 (7) (o ~ A ~ 3), z = 4 and D_c = 1.934 g · Cm ~ 3. Crystal space group P2_1 / n. The crystal structure was solved by direct method and Fourier method, with a deviation factor of R = 0.061. The results show that the crystal system is composed of nephelomere-Molybdenum cluster neutral molecules, and the triplet bridging oxygen will form an equilateral triangle trinuclear molybdenum. There is also one dithio group between every two molybdenum atoms. Bridge, one of the S atoms is essentially coplanar with the trinuclear molybdenum and the other is out of plane with the opposite of the triple bridging oxygen. In addition, each molybdenum atom is further composed of a [S 2 P (DEt) 2] Two of the original S to supplement the terminal coordination, the local coordination of the original molybdenum close to the pentagonal double cone. In addition, one chlorine atom joins the three S atoms located outside the [Mo_3] plane, and there is a weak bond between S-Cl.