Molecular Structure and Reactivity

Molecular Structure and Reactivity

Código: 222
Acronimo: MolesS-ReaC
Tipo: Grupo consolidado
Categorías: PE4 Physical and Analytical Chemical Sciences
QMC Química

Lineas de investigación:

– New non-covalent interactions arising when B and P is replaced by Al and/or Ga in amineboranes and phosphineboranes. – The so- called «beryllium bonds» whose existence was proposed recently by our two teams and which exhibit several common features with the conventional hydrogen bonds. – Very strong non-covalent interactions leading to the formation of metallocycles and which can be somehow related with metal-organic-frameworks (MOFs) used in gas-storage. – Non-covalent interactions involved in the building up of metal-organic-frameworks (MOF) or covalent organic frameworks (COFs) systems with gas-storage (Hydrogen, CO2,…) capacity. – Non-covalent interactions associated with ditopic systems as possible building blocks of new materials.- Frustrated Lewis pairs, some of which may exhibit also gas-storage capacity.

Proyectos más relevantes:

– CONSOLIDER on «Molecular Nanoscience». Funded by DGI-MEC (ref. CSD 2007-00010). From 2007 to 2011. Coordinator: Eugenio Coronado. – ERASMUS MUNDUS «European Joint Master in Theoretical Chemistry and Computational Modelling (TCCM)». Funded by European Commission. EACEA (ref. EMMC FPA 2010-0147). From 2010 to 2019. Coordinator: Manuel Yáñez. – EUOPEAN JOIN DOCTORATE «Theoretical Chemistry and Computational Modelling (TCCM)». Funded by European Commission. Research Executive Agency (MSCA-ITN-EJD GA 642294). From 2015 to 2019. Coordinator: Manuel Yáñez. – «Materiales Avanzados de Carbono para Fotovoltaica Molecular (FOTOCARBON)»;. Funded by Dirección General de Universidades e Investigación. Consejería de Educación, CAM (ref. S2013/MIT-2841). From 2014 to 2018. Coordinator: Nazario Martín. – «Modificación de la Reactividad y Diseño de Nuevos Materiales mediante Enlaces de Berilio y otras Interacciones No-Covalentes». Funded by DGICT CTQ2015-63997-C2-1-P. From 2016 to 2019. Principal Investigator: Manuel Yáñez.

Publicaciones más relevantes:

– Gavin S. Heverly-Coulson, Russell J. Boyd, Otilia Mó and Manuel Yáñez. «Revealing unexpected mechanisms for nucleophilic attack on S-S and Se-Se bridges». Chemistry-A European Journal 19, 3629-3638 (2013). – Manuel Yáñez, Otilia Mó, Ibon Alkorta, José Elguero. «Can conventional Bases and Unsaturated Hydrocarbons be converted into gas-phase Superacids that are stronger than most of the known Oxyacids? The role of Berillium Bonds». Chemistry-A European Journal 19, 11637-11643 (2013). – M. Montero-Campillo, M. Yáñez, A-M. Lamsabhi, and O. Mó. «Spontaneous H2 Loss through the Interaction of Squaric Acid Derivatives and BeH2». Chemistry-A European Journal 20, 5309-5316 (2014). – Julia Guilleme, Lara Martínez-Fernández, David González-Rodriguez, Inés Corral, Manuel Yáñez, and Tomás Torres. «An Insight into the Mechanism of the Axial Ligand Exchange Reaction in Boron Subphthalocyanine Macrocycles». Journal of the American Chemical Society 136, 14289-14298 (2014). – Oriana Brea, Ibon Alkorta, Otilia Mó, Manuel Yáñez, José Elguero, Inés Corral. «Exergonic and spontaneous production of radicals through beryllium bonds». Angew. Chem. Int. Ed. 55, 8736-8739 (2016). – Elena Kusevska, M.Merced. Montero-Campillo, Otilia Mó and Manuel Yáñez. «One-Electron Bonds in Frustrated Lewis Pair TPB Ligands: Boron Behaving as A Lewis Base». Angew. Chem. Int. Ed.,56, 6788-6792 (2017).

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