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DEP ARTMENT OF CHEMISTRY www.quimica.cinvestav.mx Research Lines Heterocyclic chemistry of main group elements. Asymmetric synthesis of compounds containing elements such as boron, phosphorus, tin, silicon, selenium, antimony, aluminum. Study of the coordination of Lewis bases and acids, especially halides or hydrides, metal atoms or protons, by nuclear magnetic resonance, X-ray diffraction, and molecular modeling. Contact Information E. [email protected] T. +52 (55) 5747 3719 F. +52 (55) 5747 3389 Dr. Rosalinda Contreras Research Lines Organic synthesis, asymmetric synthesis, structural studies of novel saturated heterocycles. Covalent chemistry of representative elements. Chemistry of boron compounds, in particular new borohydrides, borohalides, and optically active organoboranes. Reaction mechanisms in stereoselective synthesis. Contact Information Research Lines Synthesis, structural and chemical properties of organometallic and coordination compounds Contact Information E. [email protected] T. +52 (55) 5747 3720 F. +52 (55) 5747 3389 Dr. Angelina Flores Dra. Angeles Paz E. [email protected] T. +52 (55) 5747 3717 F. +52 (55) 5747 3389 Research Lines Synthesis and reactivity of carbonyl clusters of transition metals. This work could be classified into one of the following aspects: Reactivity studies of clusters that contain between 3 and 6 metal atoms with phosphine, iminofosphinates, acetylene and organic molecules with more than one olefinic and/or acetylenic segment. Spectral studies of the products obtained in the previous reactions by infrared, multinuclear magnetic resonance and mass spectrometry. Supramolecular structure of metal clusters. Contact Information E. [email protected] T. +52 (55) 5747 3716 F. +52 (55) 5747 3389 Dra. María del Jesús Rosales Research Lines Bio-inorganic spectroscopy applied to neurochemical systems. Study and characterization of metal-protein interactions that are important for understanding the molecular mechanisms of neurotoxicity of metals and the role of metals in the development of neurodegenerative diseases. Use of techniques such as absorption spectroscopy, circular dichroism, electron paramagnetic resonance, and fluorescence spectroscopy. Contact Information E. [email protected] T. +52 (55) 5747 3723 F. +52 (55) 5747 3389 Dra. Liliana Quintanar Research Lines Interlocked molecules: rotaxanes and catenanes, molecular machines, supramolecular catalysis, materials with non linear optical properties and porous materials. Dr. Jorge Tiburcio Contact Information E. [email protected] T. +52 (55) 5747 3721 F. +52 (55) 5747 3389 Research Lines Organic chemistry, in particular stereochemistry and conformational analysis, stereoelectronic effects, asymmetric synthesis, enantioselective synthesis of alpha- and beta-amino acids, organocatalysis, “green” chemistry. Contact Information Research Lines Organic chemistry, applied nuclear magnetic resonance, supramolecular chemistry and self assembly, non linear optical (NLO) materials and dendrimers, molecular machines, asymmetric synthesis, reaction mechanisms, synthesis of bioactive compounds. Contact Information E. [email protected] T. +52 (55) 5747 3722 F. +52 (55) 5747 3389 Dr. Eusebio Juaristi E. [email protected] T. +52 (55) 5747 3725 F. +52 (55) 5747 3389 Dr. Rosa Santillan Research Lines Structural and dynamic studies of molecules using the modern techniques of nuclear magnetic resonance (NMR). Elucidation of the contributions responsible of chemical shifts, coupling constants and relaxation parameters. Determination of relative reactivity by NMR using nuclei with low natural isotopic abundance. Dr. Armando Ariza Contact Information E. [email protected] T. +52 (55) 5747 3727 F. +52 (55) 5747 3389 Research Lines Development of novel techniques in experimental thermodynamics. Measurement of thermodynamic parameters of fullerenes and their correlation with molecular structure. Determination of enthalpies of formation of organic substances through conventional combustion calorimetry, semimicro and micro-combustion calorimetry Contact Information Research Lines Thermodynamics and experimental method for studying the molecular properties of chemical compounds. Design of methodology for measuring enthalpies of formation of coordination compounds and organometallics. Design of methods and instrumentation for the precise measurement of thermodynamic properties. Contact Information E. [email protected] T. +52 (55) 5747 3726 F. +52 (55) 5747 3389 Dr. Aarón Rojas E. [email protected] T. +52 (55) 5747 3718 F. +52 (55) 5747 3389 Dr. Alfonso Torres Research Lines The main themes are related to the study of hydrogen bonding interactions between the reduced forms of organic molecules and proton donor species, and the covalent modification of carbon surfaces by anodic oxidation of organic anions such as carboxylates. Dr. Felipe González Contact Information E. [email protected] T. +52 (55) 5747 3728 F. +52 (55) 5747 3389 Research Lines Contact Information Synthesis and characterization of Ru- and Pd-based electrocatalysts for fuel cells applications: PEMFC. Design and manufacture of H2/O2 PEMFC for reduced power prototypes. E. [email protected] T. +52 (55) 5747 3715 F. +52 (55) 5747 3389 Research Lines Applications and developments within the framework of density functional theory. Her group is currently focusing in the study of metals and transition metal clusters, zeolites, large fullerenes, water nucleation and biological systems. Contact Information Dr. Omar Solozar E. [email protected] T. +52 (55) 5747 3911 F. +52 (55) 5747 3389 Dra. Patrizia Calaminici Research Lines Density functional theory methods; development of quantum chemistry software; density functional perturbation theory; first-principle molecular dynamics; size dependency of cluster properties; nanostructures Dr. Andreas Köster Contact Information E. [email protected] T. +52 (55) 5747 3910 F. +52 (55) 5747 3389 Research Lines Development and application of density functional theory. Phenomenological chemical reactivity theory. Design in silico of compounds with novel and interesting structures and/or properties that challenge bonding paradigms. Role of metal ions in protein structure, particularly related to its influence in neurodegenerative diseases Contact Information Research Lines Synthesis and characterization of organic compounds of biological interest, among them derivatives of amino acids, amino alcohols, hydroxyamides, isoindolines, piperazindiones, etc. Synthesis and characterizacion of new organoboranes useful in organic synthesis. Synthesis and characterization of organotin compounds as anti-cancer agents. Molecular modeling and in vitro examination of compounds of biological interest. Contact Information E. [email protected] T. +52 (55) 5747 3724 F. +52 (55) 5747 3389 Dr. Alberto Vela E. [email protected] T. +52 (55) 5747 3396 F. +52 (55) 5747 3389 Dra. Teresa Mancilla Research Lines Organic chemistry, in particular conformational analysis. Synthesis, characterization and application of organic compounds of biological interest, among them derivatives of nucleosides. Dra. Bárbara Gordillo Contact Information E. [email protected] T. +52 (55) 5747 3729 F. +52 (55) 5747 3389