0000000000403836
AUTHOR
Johanna Ikäheimonen
Titanocene Selenide Sulfides Revisited: Formation, Stabilities, and NMR Spectroscopic Properties
[TiCp2S5] (phase A), [TiCp2Se5] (phase F), and five solid solutions of mixed titanocene selenide sulfides [TiCp2SexS5−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 identified in the CS2 solutions of …
CCDC 1887989: Experimental Crystal Structure Determination
Related Article: Heli Laasonen, Johanna Ikäheimonen, Mikko Suomela, J. Mikko Rautiainen, Risto S. Laitinen|2019|Molecules|24|319|doi:10.3390/molecules24020319
CCDC 1887990: Experimental Crystal Structure Determination
Related Article: Heli Laasonen, Johanna Ikäheimonen, Mikko Suomela, J. Mikko Rautiainen, Risto S. Laitinen|2019|Molecules|24|319|doi:10.3390/molecules24020319
CCDC 1887988: Experimental Crystal Structure Determination
Related Article: Heli Laasonen, Johanna Ikäheimonen, Mikko Suomela, J. Mikko Rautiainen, Risto S. Laitinen|2019|Molecules|24|319|doi:10.3390/molecules24020319