The gas-phase structure of octaphenyloctasilsesquioxane Si8O12Ph8 and the crystal structures of Si8O12(p-tolyl)8 and Si8O12(p-ClCH2C6H4)8

Alexander V. Zakharov; Sarah L. Masters; Derek A. Wann; Sergei A. Shlykov; Georgiy V. Girichev; Sophie Arrowsmith; David B. Cordes; Paul D. Lickiss; Andrew J. P. White

doi:10.1039/c000664e

The gas-phase structure of octaphenyloctasilsesquioxane Si₈O₁₂Ph₈ and the crystal structures of Si₈O₁₂(p-tolyl)₈ and Si₈O₁₂(p-ClCH₂C₆H₄)₈

Alexander V. Zakharov, Sarah L. Masters, Derek A. Wann, Sergei A. Shlykov, Georgiy V. Girichev, Sophie Arrowsmith, David B. Cordes, Paul D. Lickiss, Andrew J. P. White

Research output: Contribution to journal › Article › peer-review

Abstract

The equilibrium molecular structure of octaphenyloctasilsesquioxane Si₈O₁₂Ph₈ in the gas phase has been determined by electron diffraction. It was found to have D₄ point-group symmetry, with Si–O bond lengths of 1.634(15)–1.645(19) Å, and a narrow range [147.5(45)–149.8(24)°] of Si–O–Si angles. The structures of Si₈O₁₂(p-tolyl)₈ and Si8O₁₂(p-ClCH₂C₆H₄)₈ have been determined by X-ray diffraction and are found to have Si₈O₁₂ cages significantly distorted from the symmetry found for Si₈O₁₂Ph₈ in the gas phase. Thus, Si–O–Si angles range between 144.2(2)–151.64(16)° for Si₈O₁₂(p-tolyl)₈, and between 138.8(2)–164.2(2)° for Si₈O₁₂(p-ClCH₂C₆H₄)₈. These three structures show how much a Si₈O₁₂ cage may be distorted away from an ideal structure, free from intermolecular forces, by packing forces in a crystalline lattice.

Original language	English
Pages (from-to)	6960-6966
Number of pages	7
Journal	Dalton Transactions
Volume	39
Early online date	4 May 2010
DOIs	https://doi.org/10.1039/c000664e
Publication status	Published - Aug 2010

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@article{d52a48819a864313802283f7f1292153,

title = "The gas-phase structure of octaphenyloctasilsesquioxane Si8O12Ph8 and the crystal structures of Si8O12(p-tolyl)8 and Si8O12(p-ClCH2C6H4)8",

abstract = "The equilibrium molecular structure of octaphenyloctasilsesquioxane Si8O12Ph8 in the gas phase has been determined by electron diffraction. It was found to have D4 point-group symmetry, with Si–O bond lengths of 1.634(15)–1.645(19) {\AA}, and a narrow range [147.5(45)–149.8(24)°] of Si–O–Si angles. The structures of Si8O12(p-tolyl)8 and Si8O12(p-ClCH2C6H4)8 have been determined by X-ray diffraction and are found to have Si8O12 cages significantly distorted from the symmetry found for Si8O12Ph8 in the gas phase. Thus, Si–O–Si angles range between 144.2(2)–151.64(16)° for Si8O12(p-tolyl)8, and between 138.8(2)–164.2(2)° for Si8O12(p-ClCH2C6H4)8. These three structures show how much a Si8O12 cage may be distorted away from an ideal structure, free from intermolecular forces, by packing forces in a crystalline lattice.",

author = "Zakharov, {Alexander V.} and Masters, {Sarah L.} and Wann, {Derek A.} and Shlykov, {Sergei A.} and Girichev, {Georgiy V.} and Sophie Arrowsmith and Cordes, {David B.} and Lickiss, {Paul D.} and White, {Andrew J. P.}",

year = "2010",

month = aug,

doi = "10.1039/c000664e",

language = "English",

volume = "39",

pages = "6960--6966",

journal = "Dalton Transactions",

issn = "1477-9226",

publisher = "ROYAL SOC CHEMISTRY",

}

TY - JOUR

T1 - The gas-phase structure of octaphenyloctasilsesquioxane Si8O12Ph8 and the crystal structures of Si8O12(p-tolyl)8 and Si8O12(p-ClCH2C6H4)8

AU - Zakharov, Alexander V.

AU - Masters, Sarah L.

AU - Wann, Derek A.

AU - Shlykov, Sergei A.

AU - Girichev, Georgiy V.

AU - Arrowsmith, Sophie

AU - Cordes, David B.

AU - Lickiss, Paul D.

AU - White, Andrew J. P.

PY - 2010/8

Y1 - 2010/8

N2 - The equilibrium molecular structure of octaphenyloctasilsesquioxane Si8O12Ph8 in the gas phase has been determined by electron diffraction. It was found to have D4 point-group symmetry, with Si–O bond lengths of 1.634(15)–1.645(19) Å, and a narrow range [147.5(45)–149.8(24)°] of Si–O–Si angles. The structures of Si8O12(p-tolyl)8 and Si8O12(p-ClCH2C6H4)8 have been determined by X-ray diffraction and are found to have Si8O12 cages significantly distorted from the symmetry found for Si8O12Ph8 in the gas phase. Thus, Si–O–Si angles range between 144.2(2)–151.64(16)° for Si8O12(p-tolyl)8, and between 138.8(2)–164.2(2)° for Si8O12(p-ClCH2C6H4)8. These three structures show how much a Si8O12 cage may be distorted away from an ideal structure, free from intermolecular forces, by packing forces in a crystalline lattice.

AB - The equilibrium molecular structure of octaphenyloctasilsesquioxane Si8O12Ph8 in the gas phase has been determined by electron diffraction. It was found to have D4 point-group symmetry, with Si–O bond lengths of 1.634(15)–1.645(19) Å, and a narrow range [147.5(45)–149.8(24)°] of Si–O–Si angles. The structures of Si8O12(p-tolyl)8 and Si8O12(p-ClCH2C6H4)8 have been determined by X-ray diffraction and are found to have Si8O12 cages significantly distorted from the symmetry found for Si8O12Ph8 in the gas phase. Thus, Si–O–Si angles range between 144.2(2)–151.64(16)° for Si8O12(p-tolyl)8, and between 138.8(2)–164.2(2)° for Si8O12(p-ClCH2C6H4)8. These three structures show how much a Si8O12 cage may be distorted away from an ideal structure, free from intermolecular forces, by packing forces in a crystalline lattice.

U2 - 10.1039/c000664e

DO - 10.1039/c000664e

M3 - Article

SN - 1477-9226

VL - 39

SP - 6960

EP - 6966

JO - Dalton Transactions

JF - Dalton Transactions

ER -

The gas-phase structure of octaphenyloctasilsesquioxane Si8O12Ph8 and the crystal structures of Si8O12(p-tolyl)8 and Si8O12(p-ClCH2C6H4)8

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The gas-phase structure of octaphenyloctasilsesquioxane Si₈O₁₂Ph₈ and the crystal structures of Si₈O₁₂(p-tolyl)₈ and Si₈O₁₂(p-ClCH₂C₆H₄)₈