- 作者: 劉陵崗
- 作者服務機構: Institute of Chemistry, Academia Sinica, Nankang, Taipei, Taiwan 11529 and Department of Chemistry, National Taiwan University, Taipei, Taiwan 10767, R.O.C.
- 中文摘要: The Pt/C catalyzed hydrosilylation of Si8O12(CH=CH2)8 and 8 equiv of HSiMe2Cl produced Si8O12(CH2CH2SiMe2Cl)8 that was de-hydrochlorinated with 4 equiv of Z-HOCH2CH2=CHCH2OH in the presence of excess TMEDA. This preparation resulted in the attachment of four surface bridges (-CH2CH2SiMe2OCH2CH=CHCH2OSiMe2CH2CH2-Z-) on the quasi-cube Si8O12 framework. As a parallel study, the theoretical calculations of Si8O12(-CH2CH2SiH2OCH2CH=CHCH2OSiH2CH2CH2-Z-)4 were carried out at PM3 semi-empirical level to find optimized geometries for use in four subsequent ab initio computations using standard basis sets of 3-2lG* and 6-31G*. The calculations suggest that one should expect about equimolar mixture of the tetra-adducts produced by the bridging over the edges of the quasi-cube, either over four parallel edges or over two orthogonal pairs of parallel edges, but not by bridging across the faces of the quasi-cube.
- 英文摘要: --
- 中文關鍵字: Octasilsesquioxane; Quasi-cube framework; Hydrosilylation; Ab initio computation; De-hydrochlorination.
- 英文關鍵字: Octasilsesquioxane; Quasi-cube framework; Hydrosilylation; Ab initio computation; De-hydrochlorination.