Details

Autor(en) / Beteiligte

• Wann, Derek A
• Less, Robert J
• Rataboul, Franck
• McCaffrey, Philip D
• Reilly, Anthony M
• Robertson, Heather E
• Lickiss, Paul D
• Rankin, David W. H

Titel

Accurate Gas-Phase Experimental Structures of Octasilsesquioxanes (Si8O12X8; X = H, Me)

Ist Teil von

• Organometallics, 2008-08, Vol.27 (16), p.4183-4187

Ort / Verlag

American Chemical Society

Erscheinungsjahr

2008

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• The accurate structures of silsesquioxanes Si8O12H8 and Si8O12Me8 have been determined by gas-phase electron diffraction methods in order to obtain experimental data on single molecules unconstrained by a crystal lattice for comparison with data obtained by theoretical methods. For Si8O12H8 the experimentally determined structure shows ideal O h symmetry with Si−O distances and Si−O−Si angles of 161.41(3) pm and 147.9(2)° [r e, uncertainties (σ) in parentheses] compared with 162.9 pm and 147.8° for theoretical results from MP2/6-311++G(3df,3pd) calculations. In Si8O12Me8 a similar O h symmetry model gave experimental values of 161.74(5) pm and 148.9(2)° for the Si−O distances and Si−O−Si angles compared with calculated values of 163.2 pm and 148.6°, respectively.