The gas-phase structure of octaphenyloctasilsesquioxane Si 8O12Ph8 and the crystal structures of Si 8O12(p-tolyl)8 and Si8O 12(p-ClCH2C6H4)8

A.V. Zakharov, S.L. Masters, D.A. Wann, S.A. Shlykov, G.V. Girichev, S. Arrowsmith, D.B. Cordes, P.D. Lickiss, A.J.P. White

Research output: Contribution to journalArticlepeer-review


The equilibrium molecular structure of octaphenyloctasilsesquioxane Si 8O12Ph8 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 Si 8O12(p-tolyl)8 and Si8O 12(p-ClCH2C6H4)8 have been determined by X-ray diffraction and are found to have Si8O 12 cages significantly distorted from the symmetry found for Si 8O12Ph8 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 Si8O 12(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. © The Royal Society of Chemistry 2010.
Original languageEnglish
Pages (from-to)6960-6966
JournalDalton Transactions
Issue number30
Publication statusPublished - 14 Aug 2010

Bibliographical note

Cited By (since 1996):2

Export Date: 1 October 2013

Source: Scopus

doi: 10.1039/c000664e

PubMed ID: 20440427

Language of Original Document: English

Correspondence Address: Zakharov, A. V.; Department of Physics, Ivanovo State University of Chemistry and Technology, Engelsa 7, Ivanovo 153000, Russian Federation; email:

Chemicals/CAS: Gases; Organosilicon Compounds

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  • Crystalline lattice
  • Gas-phase structures
  • Gasphase
  • Intermolecular forces
  • P-tolyl
  • Packing forces
  • Point group symmetry
  • Chemical bonds
  • Crystal structure
  • Gases
  • X ray diffraction
  • Silicon
  • organosilicon derivative
  • article
  • chemical structure
  • chemistry
  • gas
  • synthesis
  • X ray crystallography
  • Crystallography, X-Ray
  • Models, Molecular
  • Molecular Structure
  • Organosilicon Compounds

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