Search results for "tetramethylthiourea"

showing 3 items of 3 documents

Persistence of oxidation state III of gold in thione coordination

2017

Ligands N,N'-tetramethylthiourea and 2-mercapto-1-methyl-imidazole form stable Au(III) complexes [AuCl3(N,N'-tetramethylthiourea)] (1) and [AuCl3(2-mercapto-1-methyl-imidazole)] (2) instead of reducing the Au(III) metal center into Au(I), which would be typical for the attachment of sulfur donors. Compounds 1 and 2 were characterized by spectroscopic methods and by X-ray crystallography. The spectroscopic details were explained by simulation of the UV-Vis spectra via the TD-DFT method. Additionally, computational DFT studies were performed in order to find the reason for the unusual oxidation state in the crystalline materials. The preference for Au(III) can be explained via various weak in…

gold(III)Crystalline materialsSolid-statechemistry.chemical_element010402 general chemistry01 natural sciencesDFTSpectral lineMetalOxidation stateComputational chemistryGeneral Materials Scienceta116Topological quantum number010405 organic chemistryChemistryIntermolecular forceGeneral ChemistryCondensed Matter PhysicsSulfurthione0104 chemical sciencesCrystallographyQTAIMvisual_artvisual_art.visual_art_mediumtetramethylthiourea
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CCDC 2061199: Experimental Crystal Structure Determination

2021

Related Article: Lauri Happonen, J. Mikko Rautiainen, Arto Valkonen|2021|Cryst.Growth Des.|21|3409|doi:10.1021/acs.cgd.1c00183

Space GroupCrystallographyCrystal SystemNNN'N'-tetramethylthiourea 1245-tetrafluoro-36-di-iodobenzeneCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 796465: Experimental Crystal Structure Determination

2017

Related Article: Sirpa Jääskeläinen, Laura Koskinen, Matti Kultamaa, Matti Haukka, Pipsa Hirva|2017|Solid State Sciences|67|37|doi:10.1016/j.solidstatesciences.2017.03.008

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstrichloro-(1133-tetramethylthiourea)-gold(iii)Experimental 3D Coordinates
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