0000000000403834

AUTHOR

Mikko Suomela

showing 4 related works from this author

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

2019

[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 …

sulfidit77Se-NMR spectroscopyPharmaceutical ScienceCrystal structureSulfidesorganometalliyhdisteet010402 general chemistry01 natural sciencesArticleAnalytical Chemistrylcsh:QD241-441Seleniumcrystal structureschemistry.chemical_compoundChalcogenlcsh:Organic chemistrytitanocene selenide sulfidesSelenide0103 physical sciencesDrug DiscoveryOrganometallic CompoundsCarbon-13 Magnetic Resonance SpectroscopyNMR-spektroskopiaPhysical and Theoretical Chemistryta116DLPNO-CCSD(T) calculations13C-NMR spectroscopyCrystallographyMolecular Structure010304 chemical physics<sup>13</sup>C-NMR spectroscopyChemistryChemical shiftOrganic ChemistryTitanocene dichlorideCarbon-13 NMRkiteetStandard enthalpy of formation0104 chemical sciencesNMR spectra databasetitaani<sup>77</sup>Se-NMR spectroscopyChemistry (miscellaneous)Carbon DisulfideseleeniQuantum TheoryMolecular MedicinePhysical chemistryMolecules
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CCDC 1887989: Experimental Crystal Structure Determination

2019

Related Article: Heli Laasonen, Johanna Ikäheimonen, Mikko Suomela, J. Mikko Rautiainen, Risto S. Laitinen|2019|Molecules|24|319|doi:10.3390/molecules24020319

Space GroupCrystallographyCrystal SystemCrystal Structurebis(eta5-cyclopentadienyl)-(pentaselane-15-diyl)-titaniumCell ParametersExperimental 3D Coordinates
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CCDC 1887990: Experimental Crystal Structure Determination

2019

Related Article: Heli Laasonen, Johanna Ikäheimonen, Mikko Suomela, J. Mikko Rautiainen, Risto S. Laitinen|2019|Molecules|24|319|doi:10.3390/molecules24020319

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(eta5-cyclopentadienyl)-(125-trithia-34-diselenapenta-15-diyl)-titaniumExperimental 3D Coordinates
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CCDC 1887988: Experimental Crystal Structure Determination

2019

Related Article: Heli Laasonen, Johanna Ikäheimonen, Mikko Suomela, J. Mikko Rautiainen, Risto S. Laitinen|2019|Molecules|24|319|doi:10.3390/molecules24020319

bis(eta5-cyclopentadienyl)-(triselane-13-dithiolato)-titaniumSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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