多面体倍半硅氧烷（POSS）1,3,5,7,9,11,13,15 - 八苯基五环[9.5.1.1(3,9).1(5,15).1(7,13)]八硅氧烷（八苯基 - POSS）。
The polyoctahedral silsesquioxane (POSS) 1,3,5,7,9,11,13,15-octaphenylpentacyclo[9.5.1.1(3,9).1(5,15).1(7,13)]octasiloxane (octaphenyl-POSS).
作者信息
Chinnam Parameswara Rao, Gau Michael R, Schwab Joseph, Zdilla Michael J, Wunder Stephanie L
机构信息
Department of Chemistry, Temple University, 1901 North 13th Street, Philadelphia, PA 19122, USA.
Research and Development, Hybrid Plastics, 55 W.L. Runnels Industrial Drive, Hattiesburg, MS 39501, USA.
出版信息
Acta Crystallogr C Struct Chem. 2014 Oct;70(Pt 10):971-4. doi: 10.1107/S2053229614019834. Epub 2014 Sep 28.
Solvent-free single crystals of 1,3,5,7,9,11,13,15-octaphenylpentacyclo[9.5.1.1(3,9).1(5,15).1(7,13)]octasiloxane (abbreviated as octaphenyl-POSS), C48H40O12Si8, were obtained by dehydration/condensation of the tetrol Si4O4(Ph)4(OH)4. The powder pattern generated from the single-crystal data matches well with the experimentally measured powder pattern of commercial octaphenyl-POSS. The geometry of the centrosymmetric molecule in the crystal was compared with that in the gas phase, and had shorter Si-O bond lengths and a broader range of Si-O-Si bond angles. The average Si-O bond length [1.621 (3) Å], and Si-O-Si and O-Si-O bond angles [149 (5) and 109 (1)°, respectively] were within the same range measured previously for octaphenyl-POSS solvates.
通过四醇Si4O4(Ph)4(OH)4的脱水/缩合反应，获得了1,3,5,7,9,11,13,15 - 八苯基五环[9.5.1.1(3,9).1(5,15).1(7,13)]八硅氧烷（简称为八苯基倍半硅氧烷）的无溶剂单晶，其化学式为C48H40O12Si8。由单晶数据生成的粉末衍射图谱与商业八苯基倍半硅氧烷的实验测量粉末衍射图谱匹配良好。将晶体中中心对称分子的几何结构与气相中的进行了比较，发现其Si - O键长较短，Si - O - Si键角范围更宽。平均Si - O键长[1.621 (3) Å]以及Si - O - Si和O - Si - O键角[分别为149 (5)°和109 (1)°]与先前测量的八苯基倍半硅氧烷溶剂化物在同一范围内。
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