Costas, Miquel

Functional models of non-hemo Cu, Mn and Fe oxygenases

In this research line selective oxidation of C-H and C=C bonds is targeted in this research line via design of iron and manganese catalysts inspired in the active site of non-heme oxygenases, which could operate via activation of oxidants with high atom efficiency and low environmental impact. Elements to control regio, chemo and stereoselectivity are investigated. Selectivity is pursued via rational design of catalysts that exploit substrate recognition-exclusion phenomena, and control over proton and electron affinity of the active species. The fundamental mechanistic aspects are also studied with the aim of designing the catalysts of the future, and understanding the chemistry taking place in non-heme iron and manganese-dependent oxygenases. Fundamental basis to control formation of the O-O bond via oxidation of the water molecule by well-defined high valent metal-oxo species is also pursued.
An additional goal of is to prepare and characterize non porphyrinic iron and manganese complexes with high oxidation states. Understanding the chemistry of high valent metal-oxo species is fundamentally interesting because of their relevance in biology and in challenging catalytic oxidation reactions including C-H hydroxylation and O-O bond formation.

Self-assembly of coordination driven supramolecular nanocages and nanoreactors. (in collaboration with Xavi Ribas)

Supramolecular metal-driven self-assembly is a very powerful method for the rational design of supramolecular entities exhibiting a variety of bi- and tri-dimensional geometric organizations, with potential applications as chemical sensors and reaction nanovessels. Along this strategy, we have been able to synthesize a variety of structures that include molecular nanosized squares and rectangles, helicates and trigonal and tetragonal prismatic nanocapsules. Our strategy consists in the self-assembly of hexaazamacrocyclic dimetallic (Cu or Pd) molecular clips with polycarboxylate linkers to construct capsule-like compounds with selective host-guest properties to encapsulate a variety of molecules including fullerenes. Furthermore, we are interested in the use these cages as nanoreactors.