Carles Bo

Institution: Institut Català d'Investigació Química (ICIQ)

Carles Bo was born in El Vendrell (Baix Penedès) in 1963, graduated in Chemistry in 1986 at the University of Barcelona, and obtained the M.Sc. degree in 1988 for studies on homogeneous catalysis.

He continued research in chemistry (but computationally) and obtained the Ph.D. degree in 1992 under the supervision of Prof. J. M. Poblet. The thesis dealt with the topological analysis of the electronic charge density function in transition metal compounds.

During the thesis he visited the Laboratoire de Chimie Quantique (Strasbourg) several times and carried out research work under the guidance of Profs. Dedieu and Bénard, and later he spent a short post-doctoral stay at Prof. Baerends’ group in Amsterdam. He holds an Assistant Professor position in Physical Chemistry at the University Rovira i Virgili (Tarragona) since 1995.

His research activities concern with the application of computational methods to the study of systems containing transition metal atoms, putting special attention in solving chemical problems in close collaboration with experimentalists. Topics studied include a variety of transition metal complexes, metalocarbohedrens, metalofullerens and polioxoanions.

Lately, he conducts research on the structure and reactivity of organometallic compounds, and in homogeneous catalysis reaction mechanisms (hydroformylation, methanol carbonylation, hydroboration) pursuing a better understanding of the effects iinduced by the ligands, and of the role of steric and electronic interactions.

He develops computer codes and is co-author of Xaim, a program to analyze charge density functions, and of ADF, the Amsterdam Density Functional package. Recently, he headed the development of a new Web interface, cLab, designed to manage computational resources and to facilitate research in computational chemistry.

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