The reaction of sodium hydro-tris(phenylthioimidazolyl) borate (NaTmPh) with silicon tetraiodide gives rise to the first crystallographically characterised molecular silicon compounds, [Si(TmPh)2] 2X (X = I– and I3–), in which the silicon is found in a regular S6 environment. The [Si(TmPh)2]2+ cation is subjected to analysis using DFT methods to explain why an S6 coordination motif is preferred to an S4 coordination motif.
- Density functional calculations
- Structure elucidation
- Sulfur donor