Starting from the alkyne complex CpZr(py)(η-MeSiCSiMe) (Cp = η-cyclopentadienyl, py = pyridine), the synthesis and complete characterisation of a zirconocene(IV) triazenido hydride complex and its use in the activation of small molecules is reported. The reaction with CO led to the formation of a zirconocene(IV) triazenido-formate complex, which was further investigated for its stability towards different bases with respect to the formation of formic acid. The experimentally observed reaction pathway was investigated computationally using DFT methods, revealing the favourable role of pyridine coordination in the hydrogen transfer from the triazene to the alkyne unit of the zirconocene reagent.
View Article and Find Full Text PDFThe behavior of technical nanoparticles at high temperatures was measured systematically to detect morphology changes under conditions relevant to the thermal treatment of end-of-life products containing engineered nanomaterials. The focus of this paper is on laboratory experiments, where we used a Bunsen-type burner to add titania and ceria particles to a laminar premixed flame. To evaluate the influence of temperature on particle size distributions, we used SMPS, ELPI and TEM analyses.
View Article and Find Full Text PDFA series of group 6 heterobimetallic complexes [M;Ir] (M = Cr, Mo, W) were synthesized and fully characterized, and the catalytic behavior was studied. The heterobimetallic complex [Mo;Ir] () was by far the most active and has shown a considerable synergistic effect, with both metals actively participating in homogeneous carbon dioxide hydrogenation, leading to formate salts. Based on theoretical calculations, the synergistic interaction is due to Pauli repulsion, lowering the transition state and thus enabling higher catalytic activity.
View Article and Find Full Text PDFThe long-term stability of an active-pharmaceutical ingredient and its drug products plays an important role in the licensing process of new pharmaceuticals and for the application of the drug at the patient. It is, however, difficult to predict degradation profiles at early stages of the development of new drugs, making the entire process very time-consuming and costly. Forced mechanochemical degradation under controlled conditions can be used to realistically model long-term degradation processes naturally occurring in drug products, avoiding the use of solvents, thus excluding irrelevant solution-based degradation pathways.
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