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題名 | Octasilsesquioxane Chemistry l. Attachment of four Surface Bridges to Octasilsesquioxane Quasi-Cube Framework= |
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作者 | 劉陵崗; 朱建邦; 周大新; 史蘭尼; Liu, Ling-kang; chu, Jiane-bone; Chow, Tahsin J.; Slanina, Zdenek; |
期刊 | Journal of the Chinese Chemical Society |
出版日期 | 20021000 |
卷期 | 49:5 2002.10[民91.10] |
頁次 | 頁943-947 |
分類號 | 340 |
語文 | eng |
關鍵詞 | Octasilsesquioxane; Quasi-cube framework; Hydrosilylation; Ab initio computation; De-hydrochlorination; |
英文摘要 | The Pt/C catalyzed hydrosilylation of Si□O□(CH=CH□)□ and 8 equiv of HSiMe□Cl produced Si□O□(CH□CH□SiMe□Cl)□ that was de-hydrochlorinated with 4 equiv of Z-HOCH□CH□=CHCH□OH in the presence of excess TMEDA. This preparation resulted in the attachment of four surface bridges (-CH□CH□SiMe□OCH□CH=CHCH□OSiMe□CH□CH□-Z-) on the quasi-cube Si□O□ framework. As a parallel study, the theoretical calculations of Si□O□(-CH□CH□SiH□OCH□CH=CHCH□OSiH□CH□-Z-)□ were carried out at PM3 semi-empirical level to optimized geometries for use in four subsequent ab initio computations using standard basis sets of 3-21G□ 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 facts of the quasi-cube. |
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