Dataset for: Very Low Temperature Dynamic 29Si NMR Study of the Conformational Equilibrium of (1,1'-Phenyl-1,1'-silacyclohex-1-yl)disiloxane

The conformational equilibrium of (1,1'-phenyl-1,1'-silacyclohex-1-yl)disiloxane has been studied by very low temperature 29Si NMR spectroscopy while both 1H and 13C NMR spectroscopy along the same temperature range failed. The barrier to six-membered ring interconversion ΔG#/kcal/mol and the conformational equilibrium of the ax-ax, ax-eq and eq-eq conformers could be analyzed. Both assignment of the 29Si signals and quantification of the conformational equilibrium is supported by MP2 and DFT calculations.