Titanocene Selenide Sulfides Revisited: Formation, Stabilities, and NMR Spectroscopic Properties.

[TiCp₂S₅] (phase ), [TiCp₂Se₅] (phase ), and five solid solutions of mixed titanocene selenide sulfides [TiCp₂SeS₅] (Cp = C₅H₅) with the initial Se:S ranging from 1:4 to 4:1 (phases ⁻) were prepared by reduction of elemental sulfur or selenium or their mixtures by lithium triethylhydridoborate in thf followed by the treatment with titanocene dichloride [TiCp₂Cl₂]. Their Se and C NMR spectra were recorded from the CS₂ solution. The definite assignment of the Se NMR spectra was based on the PBE0/def2-TZVPP calculations of the Se chemical shifts and is supported by C NMR spectra of the samples.