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- W2068312651 abstract "A new ReV oxo complex with tetramethylthiourea, [ReO(Me4tu)4](PF6)3, has been synthesized by reduction of perrhenate with tin(II) chloride in strongly acidic solution in the presence of excess tetramethylthiourea. The complex has been characterized by elemental analysis and electronic and FTIR spectroscopy. The molecular structure of the compound was determined by X-ray diffraction methods. The coordination polyhedron is a regular square pyramid with the substituted thiourea sulfur atoms in the equatorial positions [d(Re–S) = 2.339(3) Å] and the oxo ligand located in the summit [d(Re–O) = 1.63(2) Å]. Computational methods were employed to analyze the geometric and electronic structures of tetramethylthiourea and thiourea. Quantum mechanical studies suggest steric hindrance as the reason for the stabilization of the ReO3+ center instead of the ReIII one. Synthese, Charakterisierung und Kristallstruktur von [ReO(Me4tu)4](PF6)3 Ein neuer ReV-oxo-Komplex mit Tetramethylthioharnstoff [ReO(Me4tu)4](PF6)3 wurde durch Reduktion von Perrhenat mit Zinn(II)-chlorid in stark saurer Lösung und Gegenwart eines Überschusses an Tetramethylthioharnstoff synthetisiert und analytisch sowie durch UV-Vis- und FTIR-Spektren charakterisiert. Die Kristallstruktur wurde röntgenographisch bestimmt. Der Koordinationspolyeder ist eine reguläre quadratische Pyramide mit den Schwefelatomen des Thioharnstoffs in den äquatorialen Positionen [d(Re–S) = 2,339(3) Å] und dem Oxoliganden an der Spitze [d(Re–O) = 1,63(2) Å]. Die geometrische und elektronische Struktur wurde mittels Rechenmethoden analysiert. Quantenmechanische Untersuchungen zeigen, daß in der sterischen Behinderung der Grund für die Stabilität des ReO3+-Zentrums anstelle des von ReIII liegt." @default.
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- W2068312651 date "1999-05-01" @default.
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- W2068312651 title "Synthesis, Characterization, and Crystal Structure of [ReO(Me4tu)4](PF6)3 (tu = thiourea)" @default.
- W2068312651 doi "https://doi.org/10.1002/(sici)1521-3749(199905)625:5<813::aid-zaac813>3.0.co;2-0" @default.
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