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利用乙烯基三甲氧基硅烷(VMS)水解缩合,制备了有机/无机杂化纳米结构单元乙烯基倍半硅氧烷(VSSO).采用FTIR,NMR(1H,13C和29Si)和MALDI-TOFMS测试,结合SSO的结构通式Tn(OH)x(ORu001f)y[x,y=0,1,2…;n=1,2…;T=RSiO1.5-(x+y)/2n]推测出具有固定分子量的水解缩合产物VSSO所对应的多个结构简式.运用量子力学计算的方法,以单一VSSO整体分子为模型,得出了各种结构的几何参数(Si-O和Si-C键长,Si-O-Si和O-Si-O的键角)和分子体系的总能量.根据计算结果可知,VSSO的梯型结构较笼型结构具有较高的稳定性,并得出VSSO可能的最合理、最稳定的结构类型是梯型的结论.
The organic / inorganic hybrid nanostructured units of vinyl silsesquioxane (VSSO) were prepared by hydrolytic condensation of vinyltrimethoxysilane (VMS). FTIR, NMR (1H, 13C and 29Si) and MALDI-TOFMS , And the structural formula Tn (OH) x (OR u001f) y [x, y = 0,1,2 ...; n = 1,2 ...; T = RSiO1.5- (x + y) / 2n ] Deduced a number of simple structures corresponding to the hydrolytic condensation product VSSO with a fixed molecular weight.Using the method of quantum mechanics calculation, taking the single VSSO integral molecule as a model, the geometrical parameters of various structures (Si-O and Si -C bond length, the bond angles of Si-O-Si and O-Si-O) and the total energy of the molecular system.According to the calculated results, the ladder structure of VSSO has higher stability than the cage structure, The most reasonable and stable structure type possible out of the VSSO is the ladder type conclusion.