A self-assembled Cu(II)-based nanocapsule enables efficient and straightforward isolation of Sc3N@C80 from arc-processed raw soot. The newly designed Cu(II)-based supramolecular nanocapsule 5·(OTf)8 was used to effectively entrap fullerenes and endohedral metallofullerenes (EMFs) with different affinities depending on their size and shape. Moreover, we took advantage of the sharply different entrapment abilities of the 5·(OTf)8 cage
Institut de Química Computacional i Catàlisi
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Month: January 2017
The Marie Curie IF project named EnzVolNet (H2020-MSCA-IF-2016-753045) has been selected for funding (158,121.60€/2 years). The project aims to engineer enzymes for stand-alone function for the synthesis of pharmaceutically relevant targets. This corresponds to the first Marie Curie project of Dr. Osuna research team (CompBioLab). Congatulations Javi and Sílvia!
We demonstrate the application of infrared photodissocation spectroscopy for determination of the Fe=O stretching frequencies of high-valent iron(IV)-oxo complexes [(L)Fe(O)(X)]2+/+ (L = TMC, N4Py, PyTACN, and X = CH3CN, CF3SO3, ClO4, CF3COO, NO3, N3). We show that the values determined by resonance Raman spectroscopy in acetonitrile solutions are on average 9 cm-1 red-shifted with respect
In metal-mediated O2 activation, nickel(II) compounds hardly play a role, but recently it has been shown that enzymes can use nickel(II) for O2 activation. Now a low-coordinate Lewis acidic nickel(II) complex has been synthesized that reacts with O2 to give a nickel(II) organoperoxide, as proposed for the enzymatic system. Its formation was studied further by