Silylene dimers: highly fluxional molecules with unusual structures
Abstract
The bridged structures, HSi(µ-F)2SiH and FSi(µ-H)2SiF are minima on the Si2H2F2 potential energy surface and are less than 10 kcal mol–1 higher in energy than the classical disilene, HFSiSiHF (MP3/6-31G*//6-31 G*), suggesting that the species observed recently by Jutzi et al. at low temperature by 29Si NMR is the bridged (C5Me5)Si(µ-F)2Si(C5Me5) rather than the suggested F(C5Me5)Si
Si(C5Me5)F.