LastJuly 20th 2018,GIOXCAT SL spin-off companyfrom the University of Girona was constituted. The new company will be located in the Scientific and Technological Park, and has been founded by the researchers from the IQCC institute Miquel Costas, Xavi Ribas and Cristina Garcia. GIOXCAT SL activity will be based on the know-how developed by the QBIS-CAT
Institut de Química Computacional i Catàlisi
- sec.iqcc@udg.edu
- +34 972 41 83 57
Category: Miquel Costas news
Today the Lilly PhD awards from the RSEQ and Lilly in the field of Organic, Pharmaceutical and Analytical Chemistry were announced. And one of the three winners was Michela Milan from QBIS-Cat and IQCC! Congratulations Michela!
In 2015 and 2016, the IQCC organized for the first and the second time the Science Slam, which took place within the general context of the Setmana de la Ciència. This week on Friday May 11 the IQCC organizes the thirdedition to show the most representative research projects of the Institute to a wide audience. The research carried out
Site-selective C-H functionalization of aliphatic alkyl chains is a longstanding challenge in oxidation catalysis, given the comparable relative reactivity of the different methylenes. A supramolecular, bioinspired approach is described to address this challenge. A Mn complex able to catalyze C(sp3)-H hydroxylation with H2O2 is equipped with 18-benzocrown-6 ether receptors that bind ammonium substrates via hydrogen bonding.
This October, our former member of IQCC Joan Serrano was awarded the Premi Extraordinari for the best PhD thesis in 2016 from the University of Girona. Last year, he defended with success his PhD thesis on “Bioinspired copper and nonheme iron models for oxygen activation: unprecedented reactivities”, supervised by Anna Company and Miquel Costas. Now, Joan is continuing his
We report the generation of iron(V) nitride complexes, which are targets of biomimetic chemistry. Temperature-dependent ion spectroscopy shows that this reaction is governed by the spin state population of their iron(III) azide precursors and can be tuned by temperature. The complex [(MePy2TACN)Fe(N3)]2+ exists as a mixture of sextet and doublet spin states at 300 K,
Product release is the rate determining step in the arene syn-dihydroxylation reaction taking place at Rieske oxygenase enzymes, and is regarded as a difficult problem to be resolved in the design of iron catalysts for olefin syn-dihydroxylation with potential utility in organic synthesis. Towards this end, in this work a novel catalyst bearing a sterically
Iron complex [FeIII(N3)(MePy2tacn)](PF6)2 (1), containing a neutral triazacyclononane-based pentadentate ligand, and a terminally bound azide ligand has been prepared and spectroscopically and structurally characterized. Structural details, magnetic susceptibility data and Mössbauer spectra demonstrate that 1 has a low-spin state (S = 1/2) ferric center. X-Ray diffraction analysis of 1 reveals remarkably short Fe – N
C–H bond activation mediated by oxo-iron (IV) species represents the key step of many heme and nonheme O2-activating enzymes. Of crucial interest is the effect of spin state of the FeIV(O) unit. Here we report the C–H activation kinetics and corresponding theoretical investigations of an exclusive tetracarbene ligated oxo-iron(IV) complex, [LNHCFeIV(O)(MeCN)]2+ (1). Kinetic traces using
Lyses and formation of the O–O bond constitute key reactions in Biochemistry. A quite common feature of these reactions in biological systems is that they are catalyzed by first row transition metals, among which, iron, manganese and copper are prevalent. Their ability to support different oxidation states, especially high-valent metal-oxo species in the cases of