Archivos de la categoría: Investigación

Se describe la investigación en el grupo PEPARO-Heterociclos del IQOG-CSIC.

Contrato de investigación en el IQOG-CSIC

La Fundación General CSIC lanza la primera convocatoria de su Programa ComFuturo, un programa de colaboración público-privada que tiene por objeto dar respuesta al desempleo de jóvenes científicos altamente cualificados, captando el mejor talento joven investigador y haciendo posible que desarrolle proyectos de alcance en Centros e Institutos del CSIC, con el apoyo económico de entidades privadas.

El Instituto de Química Orgánica General (IQOG-CSIC) ofrece la posibilidad de que jóvenes investigadores realicen su investigación en sus instalaciones. Más información en la siguiente imagen (se puede agrandar pulsando sobre ella).

ComFuturo_IQOG

Bernardo Herradón (@QuimicaSociedad)

Bernardo Herradón_CV

CV actualizado (25 de abril de 2013): CV_Herradon_Mayo_2016

Actividades relacionadas con la Cultura Cientifica realizadas por Bernardo Herradón (25 de abril de 2013).

Actividades relacionadas con la Cultura Científica realizadas por Bernardo Herradón en el periodo mayo-2011 a mayo-2012 (17 de julio de 2012)

Resumen de CV_Herradon (25 de abril de 2013).

ORCID

Publicaciones_2010-2008

1) A Universal Scale of Aromaticity for π-Organic Compounds. M. Alonso, B. Herradón. J. Comp. Chem. 2010, 31, 917-928.

Aromaticity is an essential concept in chemistry, invented to account for the stability, reactivity, molecular structure, and properties of many organic and inorganic compounds. In recent years, numerous methods to quantify aromaticity based on the energetic, magnetic, structural, and electronic properties of molecules have been proposed but none of them is universal. The inability of establishing a universal scale of aromaticity based on a single parameter is due to the multidimensional character of this phenomenon. Consequently, aromaticity analyses should be carried out by employing a set of aromaticity descriptors on the basis of different physical manifestations of aromaticity. Here, we report a universal scale of aromaticity for π-organic compounds based on the Euclidean distance between neurons in a self-organizing map. The most widely used aromaticity indicators have been used as molecular descriptors, and so our approach provides the first scale of aromaticity which contains the energetic, magnetic, and structural aspects of this property. The method is applicable to a wide variety of unsaturated organic compounds and allows quantification of both aromaticity and antiaromaticity. Additionally, the position of a compound on the bidimensional map determinates immediately the following: (a) the group (aromatic, nonaromatic, or antiaromatic) to which the system belongs, (b) their degree of π-electronic delocalization, and (c) the similarity in aromaticity/antiaromaticity between different compounds. This new scale of aromaticity is able to indicate the expected order of aromaticity of analogues of fulvene and heptafulvene, heteroaromatic species, substituted benzenes, and functionalized cyclopentadienyl compounds.

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