Synthesis Mediated by Zirconium,Crystal Structure and Theoretical Studies on Six-substituted Benzene with Silalactone Structure and Butadiene Derivative

A novel method for the synthesis of novel silalactone was proposed by iodation and zirconium-mediated cycloaddition of alkynes. 1,1-Dimethyl-4-carboxylatethyl-6,7-diphenyl-5-(trimethylsilyl)-1,3-dihydrobenzo[c][1,2]oxasilol-3(1 H)-one(compound 1) was obtained and characterized by X-ray single-crystal diffraction. It belongs to the monoclinic system, space group P2_1/n with a = 12.706(3), b = 10.826(2), c = 19.407(4) ?, β = 91.50(3)°, V = 2668.4(9) ?~3, Z = 4, F(000) = 1004, D_c = 1.182 mg/m~3, μ = 0.162 mm~(-1), T = 293(2) K, S = 1.129, R = 0.0868 and wR = 0.1607 for 3542 observed reflections with I 2σ(I). The butadiene derivative, 3,6-di(2-methylphenyl)-4,5-diethylocta-3,5-diene(compound 2), was synthesized by zirconacyclopentadiene and aryl iodides in the presence of Cu Cl and Pd(PPh3)4. It was characterized by X-ray single-crystal diffraction for the first time, belonging to the monoclinic system, space group C2/c with a = 19.015(4), b = 7.7697(16), c = 15.298(3) ?, β = 98.24(3)°, V = 2236.8(8) ?~3, Z = 8, F(000) = 760, D_c = 1.029 mg/m~3, μ = 0.057 mm~(-1), T = 293(2) K, S = 1.100, R = 0.0673 and wR = 0.1391 for 1302 observed reflections with I 2σ(I).     

硅杂环戊二烯并苯有机小分子化合物研究进展

硅杂环戊二烯并苯有机小分子结构的特殊性,赋予其独特的光电特性,在有机光电功能材料等领域具有广阔的应用前景.其中,并苯的刚性共平面结构可避免构象无序性、扩大π-共轭;硅杂环戊二烯能够形成σ*-π*共轭,可有效降低体系LUMO能级、提高电子亲合势.硅杂环戊二烯并苯有机小分子主要包括苯并噻咯、硅桥联对二苯乙烯衍生物、二苯并噻咯和双硅桥联对-三联苯等.综述了硅杂环戊二烯并苯小分子的合成方法、结构修饰、性能及应用的研究进展,并对今后的研究方向进行了展望.