Abstract
The molecular structures of 3-silabicyclo(3.2.1)octane (SB3210) and endo-3-methyl-3-silabicyclo(3.2.1)octane ( endo-MSB3210) have been determined by gas phase electron diffraction. The average SiC bond lengths, 1.891(4) Å for SB3210 and 1.883(3) Å for endo-MSB3210, are comparable with the observed SiC bond lengths in silacyclohexane and silacyclopentane. The average CC bond lengths, 1.552(2) Å for SB3210 and 1.548(2) Å for endo-MSB3210, also compare favorably with the corresponding distances in silacyclopentane and silacyclohexane. Observed flap angles at the silicon atom are 145(4)° in SB3210 and 160(5)° in endo-MSB3210. Both molecules exhibit considerable flattening at the silicon end of the six-membered ring relative to silacyclohexane which has a flap angle of 139°. The observed structures are compared with the results of molecular mechanics calculations, and with experimental structures for several related compounds.
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