INSTITUTO DE CIENCIA DE MATERIALES DE ARAGÓN MATERIALS SCIENCE INSTITUTE OF ARAGÓN

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1 INSTITUTO DE CIENCIA DE MATERIALES DE ARAGÓN MATERIALS SCIENCE INSTITUTE OF ARAGÓN INSTITUTO DE CIENCIA DE MATERIALES DE ARAGÓN Consejo Superior de Investigaciones Científicas Universidad de Zaragoza Sede Campus Plaza San Francisco: Facultad de Ciencias: Pedro Cerbuna 12, Zaragoza Sede Campus Río Ebro: Edificio Torres Quevedo, María de Luna 3, Zaragoza Teléfono: FAX:

2 Fondo de la portada / Background: Microfotografía de la mesofase columnar observada en un cristal líquido tipo banana. Polarized optical micrograph for the columnar mesophase observed for a banana-shaped liquid crystal. Imagen de la izquierda / Left figure: Colimación del sonido asistida por ondas acústicas de superficie. Collimation of sound assisted by Acustic Surface Waves. Imagen de la derecha / Right figure: Estructura y colores obtenidos en el [E(AuPPh 2 py) 3 M] 2+ (E=O, S, Se; M=Ag, Cu). Structure and colours of [E(AuPPh 2 py) 3 M] 2+ (E=O, S, Se; M=Ag, Cu). Editores / Editors: R. Burriel, C. Cativiela, L.A. Angurel Diseño y elaboración / Design and typing: R. Burriel, C. Cativiela, L.A. Angurel y P. Pérez Impresión / Printed by: Talleres Editoriales Cometa, S.A. Número de ejemplares / Number of copies: 500 2

3 ÍNDICE * ICMA: * Datos estadísticos del ICMA 9 * Selección de resultados de investigación 21 - Ciencia y Tecnologías Químicas 23 - Ciencia y Tecnología de Materiales Estructura del Instituto Organigrama Dirección Junta Claustro Científico Departamentos de Investigación Unidades de Apoyo Actividades Líneas de investigación Ciencia y Tecnologías Químicas Ciencia y Tecnología de Materiales Proyectos de investigación Financiación europea Financiación nacional Financiación de la Comunidad Autónoma Contratos con entidades privadas Contratos con entidades públicas Proyectos de infraestructura Producción científica Artículos en revistas periódicas incluidas en el ISI Artículos en revistas periódicas no incluidas en el ISI Obras colectivas Tesis Congresos y workshops Organización Conferencias plenarias e invitadas Premios y distinciones Cooperación científica Unidades Asociadas al ICMA Convenios con organismos extranjeros Proyectos de cooperación internacional Estancias de Investigadores del ICMA en otros centros Estancias de Investigadores de otros centros en el ICMA Conferencias invitadas de Investigadores del ICMA Conferencias invitadas en el ICMA de Investigadores de otros centros Divulgación científica Actividades Proyectos Artículos Conferencias 274 3

4 CONTENTS * ICMA * Statistical data of ICMA 9 * Scientific highlights 21 - Chemistry: Science and Technology 23 - Materials Science and Technology Structure of the Institute Organization Directory Institute Board Scientific Board Research Departments Support Units Activities Research Lines Chemistry: Science and Technology Materials Science and Technology Research Projects European Funds National Funds Regional Funds Private Contracts Public Contracts Infrastructure Funds Scientific production Papers in ISI journals Papers in journals non included in ISI Collective works PhD Thesis Conferences and workshops Organization Invited Lectures Awards and honors Scientific cooperation Associated Units with ICMA Collaborative Agreements with Foreign Institutions International Cooperation Projects Visits of ICMA Scientists to other Institutions Visits of Scientists from other Institutions to ICMA Invited lectures of ICMA Researchers in other Institutions Invited lectures at ICMA Scientific Dissemination Activities Grants Articles Lectures 274 4

5 ICMA:

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7 Presentación Esta Memoria de los años 2006 a 2008 será probablemente la última publicada por el ICMA en su configuración actual, tras casi 30 años como Centro Mixto del Consejo Superior de Investigaciones Científicas (CSIC) y de la Universidad de Zaragoza (UZ) e integrado en las áreas de Ciencia y Tecnología de Materiales y Ciencia y Tecnologías Químicas. Durante este periodo se ha aprobado el reconocimiento del CSIC como Agencia Nacional, se ha reorganizado de acuerdo con la nueva estructura y está negociando su contrato de gestión. Estos tres años han procurado un desarrollo importante del Instituto en cuanto a dotaciones de infraestructura y de personal. Se han desarrollado las propuestas establecidas en el Plan Estratégico con un buen cumplimiento de los objetivos científicos y la obtención de los recursos programados. Las realizaciones se detallan en esta Memoria. Se ha efectuado una inversión importante a través del programa de apoyo a la infraestructura, destacando la renovación de las vitrinas extractoras del edificio de Química con una inversión que supera euros. También el equipamiento científico ha tenido un apoyo destacado, con adquisiciones o renovaciones importantes como un EPR por euros; un licuador de helio por euros; un RMN, un difractómetro de rayos X para monocristal y otro para polvo, con costes en torno a euros cada uno, más otros equipos de coste inferior. Para todas estas inversiones se ha contado con la financiación principal del CSIC y cofinanciaciones importantes de la UZ, del Gobierno de Aragón y de los grupos de investigación del Instituto. En cuanto a la incorporación de nuevo personal permanente se han ocupado plazas dotadas por el CSIC de 2 Profesores de Investigación, 10 Científicos Titulares, 1 Titulado Superior y 1 Titulado Medio; 10 nuevos Profesores permanentes de la UZ y 2 investigadores contratados por la agencia Aragón I+D. Los condicionantes de limitación de espacio, de duplicidad de áreas científicas y la interrelación con Institutos universitarios han llevado al ICMA a promover su división en dos Institutos y la construcción de un edificio propio que los albergue. Se ha obtenido el acuerdo de las instituciones para esta reorganización y se han preparado los convenios de constitución. El CSIC ha comprometido financiación para la construcción del edificio y la UZ ha resuelto la asignación de un solar para ello. El resultante será la constitución de dos Institutos Mixtos CSIC-UZ: el Instituto de Ciencia de Materiales de Aragón acogiendo al área de Materiales y el Instituto de Síntesis Química y Catálisis Homogénea englobando a nuestra área de Química y al Instituto Universitario IUCH, y un centro de servicios y gestión común para ambos. Ambos Institutos serán reconocidos como Institutos Universitarios mixtos. El proceso culminará durante el año Introduction This Report of the years 2006 to 2008 will probably be the last one published by the ICMA in its current configuration, after nearly 30 years as a Joint Center from the Spanish National Research Council (CSIC) and the University of Zaragoza (UZ) and integrated in the areas of Materials Science and Technology and Chemistry: Science and Technology. During this period, the constitution of the CSIC as a National Agency has been approved; it has been reorganized under the new structure and is negotiating the management contract. These three years have provided a major development of the Institute in terms of infrastructure and personnel. The proposals of the running Strategic Plan have been developed with a good performance of the scientific objectives and the consecution of the programmed resources. The achievements are detailed in this report. The Institute obtained a significant investment through the program for infrastructure, including the renovation of the hoods in the Chemistry building with an investment of over 1,300,000 euros. Scientific equipment also had an outstanding support, with major renovations or acquisitions as an EPR for 350,000 euros; a helium liquefier for 300,000 euros; an NMR, an X-ray diffractometer for crystals and another for powders costing around 200,000 euros each, plus other equipment with lower prices. All this investment has been made possible with the main funding from the CSIC and additional financing from the UZ, the Government of Aragon and the Institute's research groups. As for the integration of new scientists, the following permanent positions have been occupied: from the CSIC 2 Research Professors, 10 Tenured Scientists, and 2 Technicians with university degree; 10 new permanent Professors of the UZ; and 2 contract scientists from the agency Aragon I+D. The constraints of limited space, the multiplicity of scientific areas and the interaction with university Institutes have led ICMA to promote its division into two Institutes and the construction of a building to allocate them. The agreement of the parent institutions for this reorganization has been obtained and the new constitution agreements have been drawn up. The CSIC has committed funding for the building and the UZ has decided the allocation of land for it. The result will be two Joint Centers CSIC-UZ: the Institute of Materials Science of Aragon hosting the area of Materials and the Institute of Chemical Synthesis and Homogeneous Catalysis containing both our Chemistry area and the University Institute IUCH, and a shared service and management center. Both Institutes will be recognized as Joint University Institutes. The process will culminate during the year Ramón Burriel, Director 7

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9 Datos Estadísticos del ICMA Statistical Data of ICMA 9

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11 PERSONAL PERSONNEL Distribución de personal a 31 de diciembre de 2008 Personnel distribution in December 31, 2008 Personal Funcionario Staff 148 Consejo Superior de Investigaciones Científicas 68 Spanish Council for Scientific Research Profesores de Investigación 18 Research Professors Investigadores Científicos 15 Research Scientists Científicos Titulares 23 Tenured Scientists Personal Administrativo 5 Administrative Personnel Personal Técnico 7 Technical Personnel Universidad de Zaragoza 80 University of Zaragoza Catedráticos de Universidad 17 Full Professors Titulares de Universidad 50 Assistant Professors Catedráticos de Escuela Universitaria 1 Professors of College Titulares de Escuela Universitaria 9 Assistant Professors of College Personal Administrativo 1 Administrative Personnel Personal Técnico 2 Technical Personnel Personal contratado y becarios 174 Contract Personnel and Students Investigadores contratados por AraI+D 2 AraI+D researchers Profesores contratados 15 Postdoctoral Assistants Contratados postdoctorales 31 Postdoctoral Contracts Investigadores contratados 29 Research Fellows Becarios 69 Students Técnicos contratados 28 Technical Engineers 11

12 Personal científico permanente Scientific Staff Personal permanente CSIC CSIC Scientific Staff Personal permanente UZ UZ Scientific Staff Becarios Ph. D. Students Contratados postdoctorales RyC e I3P Postodoctoral Contracts RyC and I3P Evolución del número de científicos permanentes Evolution of the number of Staff Scientists 12

13 FINANCIACIÓN FUNDING Financiación del ICMA (en euros) clasificada por origen y organismo gestor Funding of ICMA (in euros) clasified by source and managing organism AÑO Gestionado por CSIC Presupuesto ordinario Nacional UE Contratos y convenios Otros Comunidad Autónoma Total CSIC Gestionado por Universidad de Zaragoza Nacional UE Contratos y convenios Otros Comunidad Autónoma Total UZ Total ICMA Presupuesto ordinario Nacional UE Contratos y convenios Otros Comunidad Autónoma Total % gestionado por CSIC % gestionado por UZ

14 Recursos externos correspondientes al área de Ciencia y Tecnologías Químicas (en euros) clasificados por origen y organismo gestor Project funding generated by the Chemistry: Science and Technology area (in euros) clasified by source and managing organism AÑO Gestionado por CSIC Nacional UE Contratos y convenios Comunidad Autónoma Otros Total CSIC Gestionado por Universidad de Zaragoza Nacional UE Contratos y convenios Comunidad Autónoma Otros Total UZ Total área de Ciencia y Tecnologías Químicas Nacional UE Contratos y convenios Comunidad Autónoma Otros TOTAL % gestionado por CSIC % gestionado por UZ

15 Recursos externos correspondientes al área de Ciencia y Tecnología de Materiales (en euros) clasificados por origen y organismo gestor Project funding generated by the Materials Science and Technology area (in euros) clasified by source and managing organism AÑO Gestionado por CSIC Nacional UE Contratos y convenios Comunidad Autónoma Otros Total CSIC Gestionado por Universidad de Zaragoza Nacional UE Contratos y convenios Comunidad Autónoma Otros Total UZ Total área de Ciencia y Tecnología de Materiales Nacional UE Contratos y convenios Comunidad Autónoma Otros TOTAL % gestionado por CSIC % gestionado por UZ

16 PRODUCCIÓN CIENTÍFICA SCIENTIFIC PRODUCTION 2006 Artículos publicados en revistas científicas ordenadas por su factor de impacto (2006) Number of scientifc papers published in each journal arranged by its impact factor (SCI) F. Impacto Impact factor Artículos Papers Revista Journal F. Impacto Impact factor Artículos Papers Revista Journal 12,040 2 Nat. Phys. 2,118 1 J. Struct. Geol. 10,232 2 Angew. Chem. Int. Edit. 2,113 1 Eur. Polym. J. 10,229 1 Prog. Mater. Sci. 2,107 4 J. Solid. State. Chem. 8,815 1 Coord. Chem. Rev. 2,097 1 J. Refract. Sur 7,696 5 J. Am. Chem. Soc. 2,038 5 J. Phys.-Condens. Mat. 7,072 1 Phys. Rev. Lett. 2,021 1 Macromol. Chem. Phys. 6,029 1 Gold Bull. 2,002 1 J. Opt. Soc. Am. A. 5,207 1 Curr. Med. Chem. 1,987 1 Qsar. Comb. Sci. 5,104 6 Chem. Mater. 1,926 1 Chaos 5,015 6 Chem. Eur. J 1,880 1 Vib. Spectrosc. 4,762 2 Adv. Synth. Catal. 1,843 4 Polyhedron 4,757 1 Biophys. J. 1,787 1 Inorg. Chem. Commun. 4,659 1 Org. Lett. 1,778 1 J. Biomed. Mater. Res. B. 4,521 5 Chem. Commun. 1,709 1 Opt. Mater. 4,287 6 J. Mater. Chem. 1,674 3 Inorg. Chim. Acta 4,115 5 J. Phys. Chem. B 1,674 1 Physica D 4,009 1 Opt. Express. 1,604 1 J. Opt. A-pure Appl. Op. 4,000 1 Comment. Inorg. Chem. 1,577 2 J. Phys. A-Math. Gen. 3,977 1 Appl. Phys. Lett. 1,576 1 J. Eur. Ceram. Soc. 3, Inorg. Chem. 1,550 1 Helv. Chim. Acta 3,790 3 J. Org. Chem. 1,541 1 Rev. Sci. Instrum. 3, Organometallics 1,440 3 Supercond. Sci. Tech. 3,598 1 Opt. Lett. 1,438 2 J. Therm. Anal. Calorim. 3,549 1 Acta Mater. 1,419 1 J. Inorg. Organomet. P. 3,405 1 J. Pol. Sci. A 1,417 3 Liq. Cryst. 3,372 2 Febs. Lett. 1,396 1 J. Am. Ceram. Soc. 3,166 1 J. Chem. Phys. 1,371 1 Opt. Vis. Sci. 3, Phys. Rev. B 1,331 1 Mat. Sci. Eng. B 3,047 1 Phys. Rev. A 1,250 1 J. Alloy. Compd. 3,037 1 Nanotechnology 1,228 1 High. Pressure. Res. 3,012 5 Dalton Trans. 1,221 2 Phys. Status. Solidi. A. 2,842 1 IEEE J. Sel. Top. Quant. 1,212 4 J. Magn. Magn. Mater. 2,838 2 Synlett 1,185 1 Cement. Concrete Res. 2,817 4 Tetrahedron 1,120 1 J. Chem. Sci. 2,773 1 Phys. Biol. 0,967 1 Phys. Status Solidi B 2,773 1 Polymer 0,946 1 Nucl. Instrum. Meth. B 2,769 1 Eur. J. Org. Chem. 0,919 1 Am. J. Phys. 2,715 1 IEEE T Image Process 0,897 1 Opt. Eng. 2,704 7 Eur. J. Inorg. Chem. 0,896 2 Acta Crystallogr. C 2,647 2 New J. Chem. 0,872 3 Physica B 2,538 1 Bioorg. Med. Chem. Lett. 0,615 2 J. Mater. Process. Tech. 2,511 2 J. Mol. Catal. A-Chem. 0,574 1 Synth. React. Inorg. Me. 2,509 4 Tetrahedron Lett. 0,567 1 Acta Crystallogr. E 2,468 2 Tetrahedron: Asymmetry 0,560 1 Fluct. Noise Lett. 2,462 1 Chem. Phys. Lett. 0,519 1 Mater. Construcc. 2,438 4 Phys. Rev. E 0,478 1 Mol. Cryst. Liq. Cryst. 2,377 1 J. Synchrotron Radiat. 0,364 1 Synthese 2,354 1 J. Mater. Res. - 1 Adv. Sci. Tech. 2,332 3 J. Organomet. Chem. - 1 Bol. Soc. Esp. Ceram. V. 2,331 1 Sensor Actuat B-Chem. - 1 Key Eng. Mater. 2,316 3 J. Appl. Phys. - 1 Materi. Sci. Forum 2,229 1 Europhys. Lett ,193 1 Photosynth. Res. 2,169 1 Physiol. Plantarum 16

17 2007 Artículos publicados en revistas científicas ordenadas por su factor de impacto (2007) Number of scientifc papers published in each journal arranged by its impact factor (SCI) F. Impacto Impact factor Artículos Papers Revista Journal F. Impacto Impact factor Artículos Papers Revista Journal 13,690 2 Chem. Soc. Rev. 1,909 1 Dyes Pigments 12,040 2 Nat. Phys. 1,843 2 Polyhedron 10,232 3 Angew. Chem. Int. Edit. 1,820 1 Environ. Exp. Bot. 8,815 2 Coord. Chem. Rev. 1,809 2 J. Cryst. Growth. 7,896 1 Adv. Mater. 1,778 1 J. Biomed. Mater. Res. B 7,696 4 J. Am. Chem. Soc. 1,752 1 Solid. State. Sci. 7,072 5 Phys. Rev. Lett. 1,739 1 Appl. Phys. A-Mater. 6,779 2 Adv. Funct. Mater. 1,709 1 Opt. Mater. 6,029 2 Gold Bull. 1,604 1 J. Opt. A: Pure Appl. Opt. 5,104 5 Chem. Mater. 1,577 1 J. Phys. A 5,015 7 Chem. Eur. J. 1,576 3 J. Eur. Ceram. Soc. 4,762 1 Adv. Synth. Catal. 1,559 1 Surf. Coat. Tech. 4,659 1 Org. Lett. 1,556 1 Solid. State. Commun. 4,533 1 J. Catal. 1,541 1 Rev. Sci. Instrum. 4,521 2 Chem. Commun. 1,480 1 Optics Comm. 4,287 1 J. Mater. Chem. 1,474 1 Eur. Phys. J. Spec. Top. 4,192 1 Green Chem. 1,440 1 Supercond. Sci. Tech. 4,115 2 J. Phys. Chem. B 1,417 2 Liq. Cryst. 3,977 2 Appl. Phys. Lett. 1,398 1 Microelectron. Eng. 3,911 5 Inorg. Chem. 1,396 1 J. Am. Ceram. Soc. 3,902 1 Langmuir 1,362 3 J. Non-Cryst. Solids 3,790 4 J. Org. Chem. 1,250 3 J. Alloy. Compd. 3,754 1 New J. Phys. 1,221 1 Phys. Status Solidi A 3,730 3 Proteins 1, J. Magn. Magn. Mater. 3,729 1 Crystengcomm 0,969 1 Polym. Bull. 3, Organometallics 0,946 1 Nucl. Instrum. Meth. B 3,549 2 Acta Mater. 0,918 4 Transit. Metal Chem. 3,405 2 J. Polym. Sci. Pol. Chem. 0,825 1 Z. Naturforsch 3,232 1 Curr. Org. Chem. 0,800 1 Arkivoc 3,166 3 J. Chem. Phys. 0,751 1 Physica B 3,164 1 Macromol. Rapid. Comm. 0,717 2 IEEE T. Appl. upercond. 3, Phys. Rev. B 0,690 1 Phys. Sol. Sta. 3,012 6 Dalton Trans. 0,540 1 J. Chil. Chem. Soc. 2,870 1 J. Biomed. Opt. 0,540 1 J. Chin. Chem. Soc. 2,838 3 Synlett 0,425 1 Minim. Invasive Ther. 2,817 3 Tetrahedron 0,418 1 Russ. J. Coord. Chem. 2,809 1 J. Power Sources 0,371 1 Acta Phys. Pol. A 2,796 2 Micropor. Mesopor. Mat. 0,196 1 Int. J. Vehicle Des. 2,769 1 Eur. J. Org. Chem. 0,170 1 Adv. Compos. Lett. 2,704 4 Eur. J. Inorg. Chem - 1 Photonic nanostruct. 2,647 3 New J. Chem. - 3 Bol. Soc. Esp. Ceram V. 2,630 1 Appl. Catal. A-gen. - 1 J. Phys. Chem. C 2,542 1 J. Biomech. - 1 Nano Today 2,509 4 Tetrahedron Lett ,495 1 J. Appl. Crystallogr. 2,468 5 Tetrahedron: Asymmetry 2,462 1 Chem. Phys. Lett. 2,377 1 J. Synchrotron Radiat. 2,332 2 J. Organomet. Chem. 2,316 2 J. Appl. Phys. 2,229 3 Europhys. Lett. 2,190 1 Solid State Ionics 2,182 1 Histol. Histopathol. 2,148 1 Catal. Today 2,113 2 Eur. Polym. J. 2,038 8 J. Phys.-Condens. Mat. 2,002 2 J. Opt. Soc. Am. A. 17

18 2008 Artículos publicados en revistas científicas ordenadas por su factor de impacto (2007) Number of scientifc papers published in each journal arranged by its impact factor (SCI) F. Impacto Impact factor Artículos Papers Revista Journal F. Impacto Impact factor Artículos Papers Revista Journal 13,082 1 Chem. Soc. Rev. 1,950 1 J. Cryst. Growth. 10,031 3 Angew. Chem. Int. Edit. 1,895 1 Corros. ScI. 8,568 2 Coordin. Chem. Rev. 1,886 7 J. Phys-Condens. Mat. 8,191 1 Adv. Mater. 1,857 1 Appl Phys A-Mater 7,885 5 J. Am. Chem. Soc. 1,792 1 J. Am. Ceram. Soc. 6,944 8 Phys. Rev. Lett. 1,713 2 Inorg. Chim. Acta. 5,330 6 Chem. Eur. J. 1,704 1 J. Magn. Magn. Mater. 5,141 5 Chem. Commun. 1,698 1 Solid. State. Sci. 4,977 1 Adv. Synth. Catal. 1,680 1 J. Phys A-Math.Theor. 4,944 1 Curr. Med. Chem. 1,678 1 Surf. Coat. Tech. 4,883 6 Chem. Mater. 1,562 7 J. Eur. Ceram. Soc. 4,802 3 Org. Lett. 1,551 1 IEEE T. Appl. Supercond. 4,737 1 J. Catal. 1,547 1 Cell Biol. Int. 4,411 2 Macromolecules 1,519 1 Opt. Mater. 4,339 4 J. Mater. Chem. 1,515 2 Helv. Chim. Acta. 4,260 1 Carbon 1,486 3 J. Mol. Struct. 4, Inorg. Chem. 1,463 1 Adv. Eng. Mater. 4,086 3 J. Phys. Chem. B 1,455 2 J. Alloy. Compd. 4,046 3 Cryst. Growth Des. 1,406 1 Appl. Surf. Sci. 4,009 1 Langmuir 1,362 1 Liq. Cryst. 3,961 1 Curr. Org. Chem. 1,319 2 J. Non-Cryst. Solids. 3,959 9 J. Org. Chem. 1,305 1 C. R. Chimie 3, Organometallics 1,285 1 Acta Orthop. 3,709 2 Opt. Express. 1,153 1 J. Incl. Phenom. Macro. 3,624 2 Acta Mater. 1,112 1 J. Mol Struc-Theochem 3,596 4 Appl. Phys. Lett. 1,028 1 Cement. Concrete. Res. 3,529 1 J. Polym. Sci. Pol. Chem. 1,000 1 J. Porous Mater. 3,374 1 Talanta 0,959 8 IEEE T. Mag. 3,310 3 Nanotechnology 0,955 1 Low. Tem. Phy 3,264 3 New. J. Phys. 0,789 1 P. I. Mech Eng. H 3,212 8 Dalton. Trans. 0,719 2 Chinese J. Chem. 3, Phys. Rev. B. 0,688 1 Electromagnetics 3,084 1 J. Biomed. Opt. 0,554 1 Mol. Cryst. Liq. Cryst. 3,044 1 J. Chem. Phys. 0,496 1 J. Chil. Chem. Soc. 2,978 1 J. Synchrotron. Radiat. 0,392 1 Chem. Res. Chinese U. 2,939 1 Ann. Bot. 0,318 1 Chim. Oggi 2,934 2 Sensor. Actuat. B-Chem. 0,190 1 Hip. Int. 2,918 1 J. Phys. Chem. A 0,145 1 J. Chem. Res. 2,914 8 Eur. J. Org. Chem. 0,436 1 Rev. Metal. 2,893 1 Phys. Rev. A. - 5 Bol. Soc. Esp. Ceram. V. 2,869 2 Tetrahedron - 1 Defor. Met 2,793 1 Curr. Nanosci. - 1 Eur. Phys J-Spec Top 2,634 2 Tetrahedron: Asymmetry - 1 Europhys News 2,615 1 Tetrahedron. Lett. - 1 Europhys. Lett. 2,597 4 Eur. J. Inorg. Chem. - 2 J. Phys Chem. C 2,547 1 Supercond. Sci. Tech. - 1 Materi. Sci. Forum 2,483 3 Phys. Rev. E - 1 Nat. Photonics 2,432 1 J. Membrane. Sci. - 1 Optic. Comp Mater 2,394 1 Catal. Commun. - 1 Phys B-Condens. Mater 2,384 1 IEEE. J. Sel. Top. Quant. - 1 Phys. Metals Metallogr. 2,248 1 Eur. Polym. J. - 1 Riao/Optilas 2,171 7 J. Appl. Phys. - 1 Solid. Stat. Phe. 2,168 1 J. Organomet. Chem ,163 1 Acta Cryst. 18

19 Evolución del número de publicaciones entre los años 1999 y 2008 Evolution in the number of papers between 1999 and 2008 Evolución del número de tesis doctorales presentadas entre los años 1999 y 2008 Evolution in the number of Ph. D. Thesis between 1999 and

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21 Selección de Resultados de Investigación Scientific Highlights 21

22 Izquierda: Microestructura de la sección longitudinal de un compuesto ternario Al 2 O 3 /Y 2 O 3 /ZrO 2 procesado por solidificación direccional Left: Longitudinal section of the microstructure of the Al 2 O 3 /Y 2 O 3 /ZrO 2 ternary eutectic processed by directional solidification Derecha: Vista superior de una hélice supramolecular formada por un péptido en la que se observa una simetría hexagonal Right: Top view of the self-assembled helix formed by a peptide, showing a hexagonal symmetry 22

23 Ciencia y Tecnologías Químicas Chemistry: Science and Technology 23

24 Stabilization of N-H tautomers of quinolines and α-substituted pyridines by osmium and ruthenium complexes M. L. Buil, M. A. Esteruelas, F. J. Fernández-Alvarez, K. Garcés, M. Oliván, E. Oñate Half-sandwich rhodium (and iridium) complexes as enantioselective catalysts for the 1,3-dipolar cycloaddition of 3,4-dihydroisoquinoline N-oxide to methacrylonitrile D. Carmona, M. P. Lamata, F. Viguri, R. Rodríguez, F. J. Lahoz, L. A. Oro A mixed-valence Rh(I,I) dinuclear compound from a deprotonation induced ligand-to-metal electron transfer and its reaction with dioxygen C. Tejel, M. A. Ciriano, M. P. del Río, F. J. van den Bruele, B. de Bruin Self-assembling of an aromatic linear peptide in an helical nanotube M. Crisma, C. Toniolo, S. Royo, A. I. Jiménez, C. Cativiela Complementary routes to structural analogues of the antitumoral C-nucleoside tiazofurin P. Merino, T. Tejero, R. P. Herrera, I. Delso Greening the chemistry through catalysis J. M. Fraile, J. I. García, J. A. Mayoral Synthesis of chiral piperidines with structural and stereochemical diversity P. Etayo, R. Badorrey, M. D. Díaz-de-Villegas, J. A. Gálvez Highly luminescent gold(i) silver(i) and gold(i) copper(i) chalcogenide clusters O. Crespo, M. C. Gimeno, A. Laguna, C. Larraz, M. D. Villacampa 24

25 Stabilization of N-H tautomers of quinolines and α-substituted pyridines by osmium and ruthenium complexes M. L. Buil, M. A. Esteruelas, F. J. Fernández-Alvarez, K. Garcés, M. Oliván, E. Oñate Intramolecular transfer of a proton in tautomeric systems is the key step in numerous biological important processes. It is not always clear which tautomeric form is responsible for the biological activity. For many biological transformations, the energetically less stable tautomer is often an active intermediate, which dictates the mechanism and the formed product. Non-covalent H-bonding interactions are also responsible for the stability of some tautomers. 1 Transition-metal elements have the remarkable ability to coordinate organic molecules. A crucial consequence of this ability is the essential modification of the chemical behavior of the organic species. An attractive illustration may be found in the alkyne-vinylidene tautomerization (eq. 1). 2 Although the activation energy for the acetylene-vinylidene isomerization is 76 kcal mol -1 and the latter lies 44 kcal mol -1 above the former in energy, numerous transition metal vinylidene complexes have been reported in recent years. 3 In the presence of the transition metal and its associated ligands, the barrier for the isomerization diminishes, and the coordination of the vinylidene to the metal produces an inversion of the relative energy between the two tautomers. Quinoline, also known as 1-azanaphthalene, is an aromatic nitrogen compound characterized by a double-ring structure that contains benzene fused to pyridine at two adjacent carbon atoms. DFT calculations indicate that, like acetylene, it has a NH tautomer resulting from a C,N-1,2- hydrogen shift (eq. 2), which lies 44.3 kcal mol -1 H N H C C R :C C H R H (2) H H H H H H H H above the usual CH tautomer. However, as far as we know, transition metal complexes containing the former have not been reported until now. The complex OsH 2 Cl 2 (P i Pr 3 ) 2 (1) and its ruthenium counterpart RuH 2 Cl 2 (P i Pr 3 ) 2 (2) promote the transformation shown in eq. 2 and stabilize the NH tautomer of quinoline and 8- methylquinoline. Treatment of a toluene solution of 1 with 2.0 equiv of quinoline at 85ºC for 10 h leads to the elongated dihydrogen complex 3 (Scheme 1), which is isolated as an orange solid in 70% yield. Under the same conditions the reaction of 1 with 8-methylquinoline affords the related compound 4 in 90% yield. The formation of 3 and 4 involves, in addition to the tautomerization : H N R R H (1) of the heterocycles, the transformation of the osmium-dihydride unit of 1 into osmiumelongated dihydrogen. Ruthenium is a poorer π-back-bonder than osmium, because the osmium valence orbitals have better overlap with the ligand orbitals. Thus, the Ru(η 2 -H 2 ) bond is weaker than the Os(η 2 -H 2 ) one, 4 and the dihydrogen ligand is lost during the reaction of 2 with quinoline and 8- methylquinoline. Treatment of toluene solutions of 2 with both heterocycles at 85ºC affords the five-coordinate derivatives 5 and 6 in 70% yield. N R MH 2 Cl 2 ( i Pr 3 P) 2 Toluene M = Os (1), Ru (2) 85ºC Scheme 1 P i Pr 3 M = Os Cl Cl H Os N H 2 P i Pr 3 R = H (3), Me (4) P i Pr 3 M = Ru Cl H Ru N - H 2 Cl P i Pr 3 R = H (5), Me (6) The Cl H-N interaction plays a significant role in the stabilization of the NH tautomer. DFT calculations on the model system OsH 2 Cl 2 (C 9 H 7 N)(PH 3 ) 2 (Chart 1) indicate that the additional stabilization corresponding the Cl H- N interaction is of 8.0 kcal mol -1. While the species resulting from the coordination of the NH tautomer with the NH-hydrogen towards the elongated dihydrogen (B) only lies 2.2 kcal mol -1 under that resulting from the coordination of the CH tautomer (A), the latter is 10.2 kcal mol -1 less stable than the species containing the NH tautomer with the NH-hydrogen towards a chlorine (C). Cl Os Chart 1 N H C A 10.2 kcal mol -1 Os N C H Cl C 0 kcal mol -1 In addition to the stabilization of N-H tautomers of quinolines, that of α-substituted pyridines can be also achieved with osmium. N- H tautomers of α-substituted pyridines, Os H C N Cl B 8.0 kcal mol -1 R R 25

26 postulated 70 years ago 5 and experimentally proved in the gas phase for pyridine, 6 have been recently synthesized by means of an iridium mediated process that involves formally 1,2-H shift from carbon to nitrogen. 7 The osmium- polyhydride complex OsH 6 (P i Pr 3 ) 2 activates a C(sp 2 )-H bond of the CH 2 group of the substituent of 2-vinylpyridine to yield OsH 3 (NC 5 H 4 -o-ch=ch)(p i Pr 3 ) 2, which reacts with HBF 4 to give 7 as a result of the regeneration of the 2-vinylpyridine molecule and the transformation of the Os-trihydride unit into Os-hydride-dihydrogen. 8 The treatment at 50 ºC of the white complex 7 with 5.0 equiv of benzophenone in the absence of solvent gives rise after 24h to a red melt that, by stirring in diethyl ether at room temperature, affords 8 (Scheme 2) as a red solid in 55% yield. The addition of some drops of acetonitrile or acetone to the discarded diethyl ether solution produces the precipitation of the side complexes [Os{C 6 H 4 C(O)C 6 H 5 }(η 2 -H 2 )L(P i Pr 3 ) 2 ]BF 4 (L = CH 3 CN, (CH 3 ) 2 CO). H H 2 P i Pr 3 N Os P i Pr 3 7 Scheme 2 BF 4 Ph 2 CO Ph 50ºC P i Pr 3 H O Os H H N i Pr 3 P 8 - Ph 2 CO CH 3 CN BF 4 P i Pr 3 BF 4 H 3 CCN NCCH 3 Os H H N i Pr 3 P The formation of 8 is a one-pot tandem process of three reactions: i) hydrogenation of the vinyl substituent of the pyridine as a result of the transfer of the coordinated hydrogen molecule from the metal center to the C-C double bond; ii) ortho-ch bond activation of the ketone by the resulting monohydride, in agreement with the trend shown by the osmiumhydride complexes to add aromatic ketones; and iii) C,N-1,2-H rearrangement of 2-ethylpyridine. Despite the chelating nature of the orthometalated ligand, the elimination of the ketone from 8 is favored with regard to the retrotautomerization of the heterocycle or the elimination of 2-ethylpyridinium. Thus, at room temperature in acetonitrile, 8 evolves to 9 (90% yield, Scheme 2). The steric hindrance experienced by the substituent and the co-ligands of the complex is a strong determining factor for the promotion of the metal mediated rearrangement of α- substituted pyridines into N-H tautomers. The retro-tautomerization and release of the heterocycle from the metal center is disfavored with regard to the elimination of strongly 9 coordinating ligands, including orthometalated aromatic ketones. Like in the Os- and Ruquinoline derivatives, hydrogen bonds involving the NH group appear to play an important role in the stabilization of this type of compounds. In the light of these results, one should expect a rapid growth of the number of transition-metal complexes containing N-H tautomers of α- substituted pyridines in the near future. Main publications M. A. Esteruelas, F. J. Fernández-Alvarez, E. Oñate. J. Am. Chem. Soc. 2006, 128, M. L. Buil, M. A. Esteruelas, K. Garcés, M. Oliván, E. Oñate. J. Am. Chem. Soc. 2007, 129, M. A. Esteruelas, F. J. Fernández-Alvarez, E. Oñate. Organometallics 2007, 26, 5239 M. L. Buil, M. A. Esteruelas, K. Garcés, M. Oliván, E. Oñate. Organometallics 2008, 27, 4680 M. A. Esteruelas, F. J. Fernández-Alvarez, E. Oñate. Organometallics 2008, 27, 6236 Acknowledgements The financial support of the MEC projects CTQ and Consolider Ingenio 2010 CSD is acknowledged. References 1. E. D. Raczyńska, W. Kosińska, B. Ośmiałowski, R. Gawinecki. Chem. Rev. 2005, 105, J. Silvestre, R. Hoffmann. Helv. Chim. Acta 1985, 68, (a) M. I. Bruce. Chem. Rev. 1991, 91, 197 (b) M. C. Puerta, P. Valerga. Coord. Chem. Rev. 1999, , 977 (c) J. P. Selegue. Coord. Chem. Rev. 2004, 248, 1543 (d) D. A. Valyaev, O. V. Semeikin, N. A. Ustynyuk. Coord. Chem. Rev. 2004, 248, (a) M. T. Bautista, E. P. Cappellani, S. D. Drouin, R. H. Morris, C. T. Schweitzer, A. Sella, J. Zubkowski. J. Am. Chem. Soc. 1991, 113, 4876 (b) C. Bohanna, M. A. Esteruelas, A. V. Gómez, A. M. López, M. P. Martínez. Organometallics 1997, 16, M. R. F. Ashworth, R. P. Daffern, D. L. Hammick. J. Chem. Soc. 1939, D. Lavorato, J. K. Terlouw, T. K. Dargel, W. Koch, G. A. McGibbon, H. Schwarz. J. Am. Chem. Soc. 1996, 118, E. Alvarez, S. Conejero, M. Paneque, A. Petronilho, M. L. Poveda, O. Serrano, E. Carmona. J. Am. Chem. Soc. 2006, 128, P. Barrio, M. A. Esteruelas, E. Oñate. Organometallics 2004, 23,