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5,5’-螺硅芴的合成和晶体结构研究

A study on synthesis and crystal structure of 5,5-Spirobi(dibenzosilole)
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摘要 以1,2-二溴苯为起始原料,通过偶联反应得到55,’-螺硅芴。在氯仿/石油醚的混合溶剂中通过缓慢挥发得到无色的块状晶体。用Bruker P4四圆衍射仪对晶体结构进行鉴定,用SHELXL-97程序对晶体结构进行解析。晶体数据为:C24 H16 Si,Mr=332.46,晶体属于四方晶系,P41 212空间群。晶胞参数:a=8.615(5),b=8.615(5)c,=24.079(5),α=90.000(5)°,β=90.000(5)°,γ=90.000(5)°,V=1787.1(15)3,Z=4,Dc=1.236 g/cm3,F(000)=696,μ(MoKa)=0.133 mm-1。偏差因子R=0.0384,ωR=0.0822。结果表明整个结构以硅为中心形成Z字形的正交三维空间对称结构,此类结构,可以有效降低材料发光的淬灭,提高量子产率。其衍生物在非线性光学、电致发光及立体化学方面有着潜在的发展前景。 The title compound 5,5ˊ-spirobi(dibenzosilole) was synthesized by the coupled reaction with o-dibromobenzene as a main staring material at rigorous condition.Its crystal structure was determined by a four-circle diffractometer.The crystal data:C24H16Si,Mr=332.46,tetragonal,space group P41 212,a=8.615(5) ,b=8.615(5),c=24.079(5),α=90.000(5) °,β=90.000(5)°,γ=90.000(5)°,V=1787.1(15)3,Z=4,Dc=1.236 g/cm3,F(000)=696,μ(MoKa)=0.133 mm-1.The final R =0.0384 and wR=0.0822.The results show that the molecule is approximatively an orthogonal three-dimensional space with silicon atom as the center.The kind of materials can reduce the ratio of fluorescence quenching and improve the fluorescence quantum yield.The molecular derivatives will have a potential development prospect in the fields of nonlinear optics,electroluminescent materials and the domain of stereochemical.
出处 《山东轻工业学院学报(自然科学版)》 CAS 2011年第3期4-7,共4页 Journal of Shandong Polytechnic University
关键词 5 5’-螺硅芴 偶联反应 晶体结构 正交 5 5′-spirobi(dibenzosilole) coupled reaction crystal structure orthogonal
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