0000000001314163
AUTHOR
Matti Kultamaa
Persistence of oxidation state III of gold in thione coordination
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…
CCDC 1499191: Experimental Crystal Structure Determination
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
CCDC 796465: Experimental Crystal Structure Determination
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