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

ABSTRACT: [TiCp₂S₅] (phase A), [TiCp₂Se₅] (phase F), and five solid solutions of mixed titanocene selenide sulfides [TiCp₂Se_xS₅_-x] (Cp = C₅H₅^-) with the initial Se:S ranging from 1:4 to 4:1 (phases B⁻E) 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 ⁷⁷Se and ¹³C NMR spectra were recorded from the CS₂ solution. The definite assignment of the ⁷⁷Se NMR spectra was based on the PBE0/def2-TZVPP calculations of the ⁷⁷Se chemical shifts and is supported by ¹³C NMR spectra of the samples. The following complexes in varying ratios were identifie

SUBMITTER: Laasonen H 

PROVIDER: S-EPMC6358803 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature