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CTQ2015-70795-P

Financiado

GENERACION Y CARACTERIZACION DE ESPECIES DE HIERRO Y MANGANESO EN ALTOS ESTADOS...

GENERACION Y CARACTERIZACION DE ESPECIES DE HIERRO Y MANGANESO EN ALTOS ESTADOS DE OXIDACION, Y SU USO EN CATALISIS ASIMETRICA SELECTIVE FUNCTIONALIZATION OF HYDROCARBONS STANDS AS ONE OF THE MAIN CHALLENGES OF MODERN CHEMISTRY, AND THE DISCOVERY OF CATALYSTS BASED IN NON TOXIC METALS THAT ACTIVATE H2O2 ARE ENVISIONED AS ONE OF THE MOST PROMISING APPROACH... ver más

01/01/2015

UDG

191K€

Presupuesto del proyecto: 191K€

Líder del proyecto

UNIVERSITAT DE GIRONA No se ha especificado una descripción o un objeto social para esta compañía.

Total investigadores 226

Financiación concedida El organismo AGENCIA ESTATAL DE INVESTIGACIÓN notifico la concesión del proyecto el día 2015-01-01

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UDG

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Últimas noticias

02-12-2024: AGENCIA-VALENCIANA-D... En las últimas 48 horas el Organismo AGENCIA VALENCIANA D... ha otorgado 1 concesiones

02-12-2024: CDTI En las últimas 48 horas el Organismo CDTI ha otorgado 4 concesiones

01-12-2024: REDES En las últimas 48 horas el Organismo REDES ha otorgado 1337 concesiones

Líder del proyecto

UNIVERSITAT DE GIRONA

Total investigadores 226

Presupuesto del proyecto 191K€

Descripción del proyecto SELECTIVE FUNCTIONALIZATION OF HYDROCARBONS STANDS AS ONE OF THE MAIN CHALLENGES OF MODERN CHEMISTRY, AND THE DISCOVERY OF CATALYSTS BASED IN NON TOXIC METALS THAT ACTIVATE H2O2 ARE ENVISIONED AS ONE OF THE MOST PROMISING APPROACHES, RESEARCH EFFORTS DURING THE LAST DECADE IN THE FRAME OF THE FIELD OF BIOINORGANIC CHEMISTRY HAVE LED TO THE DISCOVERY THAT SYNTHETIC IRON AND MANGANESE COORDINATION COMPLEXES THAT CAN ENGAGE IN ENZYME-LIKE METAL BASED C-H OXIDATION REACTIVITY, OUR TEAM HAS CONTRIBUTED VERY SIGNIFICANTLY TO THE TOPIC BY CLARIFYING THE MECHANISMS UNDERLYING THIS CHEMISTRY AND BY DESIGNING VERY ACTIVE CATALYSTS, WE HAVE UNCOVERED BASES TO MANIPULATE THE STRUCTURE OF THE CATALYSTS IN A MANNER THAT HIGH VALENT METAL OXO SPECIES ARE GENERATED BY EXQUISITELY CONTROLLED HETEROLYSIS OF THE O-O BOND OF H2O2, BY DOING SO, UNSELECTIVE FREE-DIFFUSING RADICAL PROCESSES (KNOWN FOR MORE THAN A CENTURY AS FENTON REACTIONS) ASSOCIATED TO A FE(II)/FE(III) CYCLE ARE AVOIDED, IN THIS SCENARIO, DEVISING OF STEREOSELECTIVE C-H FUNCTIONALIZATION REACTIONS HAS BECOME POSSIBLE BY MEANS OF JUDICIOUS DESIGN OF THE CATALYST, FURTHERMORE, THE COMBINATION OF BIOLOGICALLY RELEVANT FIRST ROW TRANSITION METAL-BASED CATALYSTS AND HYDROGEN PEROXIDE IS ENVISIONED AS A VERY ATTRACTIVE APPROACH FOR DEVELOPING OXIDATION METHODS BECAUSE IT WILL MEET THE CRITERIA OF AVAILABILITY, LOW COST AND LOW TOXICITY CONSIDERATIONS, CONSIDERING THESE PREMISES THE CURRENT PROJECT TARGETS HARNESSING THE POWERFUL AND VERSATILE REACTIVITY OF HIGH-VALENT IRON- AND MANGANESE OXO SPECIES BY USING BIOLOGICALLY INSPIRED OXIDATION CATALYSTS, IN ORDER TO DEVELOP REGIO AND STEREOSELECTIVE FUNCTIONALIZATION REACTIONS OF ALKANE AND ALKENE MOIETIES, AND THAT COULD HAVE VALUE IN PRACTICAL CHEMICAL SYNTHESIS, SELECTIVITY IS PURSUED BY EMBEDDING THE REACTIVE METAL-OXO SPECIES IN STRUCTURALLY ELABORATED LIGAND FRAMEWORKS, LIGAND DESIGN ENABLES MANIPULATION OF THE ELECTRONIC AND STERIC PROPERTIES OF THE CATALYSTS, BUT THE PROJECT ALSO TARGETS DEVELOPMENT OF NOVEL GENERAL STRATEGIES TO PURSUE SELECTIVITY IN TRANSITION METAL CATALYSIS, BASED IN THE SYNERGISTIC COMBINATION OF SUPRAMOLECULAR CHEMISTRY CONCEPTS AND SMALL MOLECULE CATALYSTS, TO THIS END, HYBRID CATALYSTS RESULTING FROM THE COMBINATION OF PEPTIDES-AND BIOLOGICALLY INSPIRED CATALYST WILL BE DEVELOPED, BUILDING OF THESE HYBRIDS CAN BE REGARDED AS A BOTTOM UP APPROACH TO THE DESIGN OF SYNTHETIC SEMI-PROTEINS, WHICH ARE ENVISIONED TO ENABLE RICH SELECTIVITY ABILITY BECAUSE OF THE RICH STRUCTURAL VERSATILITY OF PEPTIDES, A SECOND STRATEGY WILL BE EMBEDDING THE CATALYSTS IN SUPRAMOLECULAR VESSELS, SELECTIVITY IN THESE SUPRAMOLECULAR COMPLEXES IS ENVISIONED TO ARISE FROM THE STRUCTURAL CONSTRAINS IMPOSED BY THE SUPRAMOLECULAR HOST, IN A SIMILAR MANNER TO PHENOMENA OF RESTRICTIVE SUBSTRATE ACCESS THAT USUALLY TAKES PLACE AT ENZYMATIC SITES, FURTHERMORE, THE PROJECT ALSO AIMS AT EXTENDING C-H FUNCTIONALIZATION REACTIVITY TOWARDS NITROGEN AND CARBON ATOM TRANSFER REACTIONS, THE THIRD GENERAL OBJECTIVE OF THE PROJECT IS TO EXPLORE THE BASIC ASPECTS OF THE REACTIVITY OF HIGH VALENT IRON AND MANGANESE METAL-OXO SPECIES, MOST ESPECIALLY REGARDING THE BREAKAGE AND FORMATION OF THE O-O BOND, AS WELL AS OXYGEN ATOMS TRANSFER REACTIONS, THIS WILL BE DONE BY PREPARING THESE HIGHLY REACTIVE SPECIES, AND SUBMITTING THEM TO SPECTROSCOPIC, COMPUTATIONAL AND CHEMICAL CHARACTERIZATION, ALTOS ESTADOS DE OXIDACIÓN\METAL-OXO\CATÁLISIS ASIMÉTRICA\CATÁLISIS BIOINSPIRADA\FUNCIONALIZACIÓN DE ENLACES C-H Y C=C

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