CH3OH on a single-crystal rutile TiO2(110) surface is a widely studied model system for heterogeneous photocatalysis. The oxidation to CH2O is stepwise and involves a CH3O intermediate. These photocatalytic processes are usually modeled assuming that the hole-electron (h-e) pairs generated during the excitation are independent, ie they separate before the reactive photocatalytic step. Here we show
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In 2015, the IQCC organized for the first time the Science Slam, which took place within the general context of the Setmana de la Ciència and was dedicated to Prof. Ramon Carbó-Dorca on the occasion of his 75th birthday. Next week on November 24 the IQCC organizes the second edition to show the most representative
Spin states of transition-metal complexes are essential for understanding many cases in biology, medicine, catalysis, and photonics. The choice of theoretical method, basis set, solvation and many other effects represent factors that need to be considered to be able to deal with the close-lying spin states in coordination compounds. However, the assignment of spin states
Today a new paper was published in Adv. Synth. Catal. on enantioselective cascade cyclopropanation reactions catalyzed by rhodium(I), through the asymmetric synthesis of vinylcyclopropanes. Ò. Torres, A. Roglans, and A. Pla-Quintana “An Enantioselective Cascade Cyclopropanation Reaction Catalyzed by Rhodium(I): Asymmetric Synthesis of Vinylcyclopropanes” Adv. Synth. Catal. 2016, 358, 3512-3516 DOI: 10.1002/adsc.201600789 It also featured on the
Today took place in Girona the Second Supramolecular Symposium in Girona organized by the IQCC, where we had the pleasure of having three renowned speakers from the field of supramolecular chemistry: Between the three of them, a variety of different topics were discussed, ranging from cavitands, self-assembly, robots, metal-organic frameworks, mathematics, polyoxometalates, philosophy, origin of
Two metastable NiIII complexes, [NiIII(OAc)(L)] and [NiIII(ONO2)(L)] (L = N,N’-(2,6-dimethylphenyl)-2,6-pyridinedicarboxamidate, OAc = acetate), were prepared, adding to the previously prepared [NiIII(OCO2H)(L)], with the purpose of probing the properties of terminal late-transition metal oxidants. These high-valent oxidants were prepared by the one-electron oxidation of their NiII precursors ([NiII(OAc)(L)]? and [NiII(ONO2)(L)]?) with tris(4-bromophenyl)ammoniumyl hexachloroantimonate. Fascinatingly, the reaction
High-valent terminal copper–nitrene species have been postulated as key intermediates in copper-catalyzed aziridination and amination reactions. The high reactivity of these intermediates has prevented their characterization for decades, thereby making the mechanisms ambiguous. Very recently, the Lewis acid adduct of a copper–nitrene intermediate was trapped at ?90?°C and shown to be active in various oxidation
One of the Plenary Speakers of the Girona Seminar, Prof. Borovik (UC Irvine), asked Prof. Swart for his help in understanding where the proton goes in a high-valent “Fe(IV)-hydroxo” complex. Together with Adrià Romero, they were able to figure out that there were four viable possibilities where the proton would be either at the “oxo”-oxygen,
Terminal high-valent metal–oxygen species are key reaction intermediates in the catalytic cycle of both enzymes (e.g., oxygenases) and synthetic oxidation catalysts. While tremendous efforts have been directed toward the characterization of the biologically relevant terminal manganese–oxygen and iron–oxygen species, the corresponding analogues based on late-transition metals such as cobalt, nickel or copper are relatively scarce.
This September, our former member of IQCC Marc Garcia-Borràs was awarded the Premi Extraordinari for the best PhD thesis in 2015 from the University of Girona. Last year, he defended with success his PhD thesis on “Structure and reactivity of endohedral (metallo)fullerenes”, supervised by Josep M. Luis and Miquel Solà. Now, Marc is continuing his research as a