Endohedral metallofullerenes (EMFs) have attracted much attention since their discovery because of their extraordinary properties and potential applications. The synthesis of EMFs from a carbon soot sample of an arc discharge or laser vaporization leads to many different EMFs that are obtained in different relative abundances. Few of them, like the Sc3N@Ih-C80 trimetallic nitride template
Institut de Química Computacional i Catàlisi
- sec.iqcc@udg.edu
- +34 972 41 83 57
Month: March 2017
Today two members of the IQCC were awarded the prestigious Humboldt fellowship with which they can continue their research careers in Berlin. Both researchers, Teresa Corona and Òscar Torres, recently defended their PhD thesis with success on “Understanding C-H oxidation and amination reactions performed by late first-row transition metals: trapping high-valent metal-O/N species” (Teresa Corona,
Density functional theory (DFT) calculations have been used to describe the first turnover of an olefin metathesis reaction calling for a new in silico family of homogenous Ru-based catalysts bearing a phosphine–phosphonium ylide ligand, with ethylene as a substrate. Equal to conventional Ru-based catalysts bearing an N-heterocyclic carbene (NHC) ligand, the activation of these congeners
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