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Luis Salvatella has been integrated in the research group named as Heterogeneous Catalysis in Selective Organic Synthesis (Catálisis Heterogénea en Síntesis Orgánicas Selectivas, CHESO) since 1990 through different positions (1990-1994, pre-doctoral fellow; 1994-1996 and 1998-1998, Associate Professor; 1999-2002, Assistant Professor; 2002-2018, Tenured Lecturer; 2018-, Full Professor). Furthermore, his post-doctoral stage in the Laboratory of Theoretical Chemistry in Nancy in 1996-1998 (thanks to a 2-year Union European fellowship, involving an engagement as Engineer in the CNRS) allowed deepening his knowledge on Theoretical Chemistry, very useful in his professional career.
The research career path of Luis Salvatella has been focused on the study of reaction mechanisms by using both theoretical and experimental methods.
For a long time, the CHESO group has focused on the application of heterogenous catalysts in reactions useful for Organic Synthesis.
Some interest has been focused on the characterization of heterogenous and homogeneous catalysts by using reaction models.
However, most attention has been paid to the elucidation of reaction mechanisms. A major center of interest corresponds to the study of the Diels-Alder reaction by using different methodologies, including Linear Free Energy Relationship experimental studies as well as different theoretical methods (such as QM/MM or continuum model calculations). A special interest has been paid to conformational and solvent issues. A large number of publications have been obtained from such a work, including 3 JACS papers. Interestingly the cover of the last edition of the Carey's Advanced Organic Chemistry book gathers several transition states calculated by Luis Salvatella.
Other organic reactions (such as 1,3-cycloaddition, Meinwald rearrangement, cyclopropanation, trans-siliranation, Kharasch-Sosnovsky reaction) have also been studied by using theoretical methods.
In addition to the mechanistic study of the reactions developed by the research group, Luis Salvatella has also carried out some incursions in fundamental concepts, such as sigma-bond delocalization, alkyl group electronic properties, the feasability of antara-antara cycloaddition reactions or, especially, the demonstration of the inexistence of Secondary Orbital Interactions.
Since 2014, the CHESO group has focused on the valorization of raw materials and the reutilization of industrial wastes. Several studies have been carried out in order to model the acidolysis of lignin models, the role of sulfonated carbons in acid-catalyzed reactions or the copper-catalyzed cyclopropanation reaction of oleic acid models.
He has participated in 23 research projects and has been research leader in two contracts with industry. He has been referee for 14 international journals and evaluator for three research agencies.
He has been the coordinator of the Master's degree in Sustainable Chemistry (2007-2014) and a member of the Management Council of the Suschem-Spain technological platform.
The intense activity of Luis Salvatella in Research, Education, and University Management has been recently recompensated with a position as a Full Professor in the University of Zaragoza.
4 six-year research periods (last one in 2016). Directed theses (last 10 years): 1 completed + 1 underway. Total cites: 1294 (WOS), 1422 (Scopus). Average cites/year (2013-2017) = 57 (WOS), 61 (Scopus). Q1 total publications = 22. h-Index: WOS = 19, Scopus = 20.
Artículos
- Bescós, A.; Herrerías, C.I.; Hormigón, Z.; Mayoral, J.A.; Salvatella, L. Theoretical insight on the treatment of ß-hexachlorocyclohexane waste through alkaline dehydrochlorination. SCIENTIFIC REPORTS (NATURE PUBLISHING GROUP). 2021. DOI: 10.1038/s41598-021-88060-7
- Angulo, B.; Herrerías, C.I.; Hormigón, Z.; Mayoral, J.A.; Salvatella, L. Copper-catalyzed cyclopropanation reaction of but-2-ene. JOURNAL OF MOLECULAR MODELING. 2018. DOI: 10.1007/s00894-018-3737-1
- Salvatella, L. A DFT study on the mechanism of the sulfonic acid + alcohol esterification reaction. RSC ADVANCES. 2018. DOI: 10.1039/c7ra09833b
- Fraile, J.M.; García, J.I.; Hormigón, Z.; Mayoral, J.A.; Saavedra, C.J.; Salvatella, L. Role of Substituents in the Solid Acid-Catalyzed Cleavage of the ß-O-4 Linkage in Lignin Models. ACS SUSTAINABLE CHEMISTRY AND ENGINEERING. 2018. DOI: 10.1021/acssuschemeng.7b03218
- Salvatella, L. The alkyl group is a –I + R substituent. EDUCACION QUIMICA. 2017. DOI: 10.1016/j.eq.2017.06.004
- Salvatella, L. Theoretical design of tetra(arenediyl)bis(allyl) derivatives as model compounds for Cope rearrangement transition states. RSC ADVANCES. 2015. DOI: 10.1039/c4ra16381h
- Cepriá Pamplona, Gema; Salvatella, Luis. A General Procedure for the Easy Calculation of pH in an Introductory Course of General or Analytical Chemistry. JOURNAL OF CHEMICAL EDUCATION. 2014. DOI: 10.1021/ed400089j
- Fraile Dolado, José María; Mayoral Murillo, José Antonio; Salvatella Ibañez, Luis. Theoretical study on the BF3-catalyzed Meinwald rearrangement reaction. JOURNAL OF ORGANIC CHEMISTRY. 2014. DOI: 10.1021/jo5003888
- Jiménez-Osés, G.; Vispe, E.; Roldán, M.; Rodríguez-Rodríguez, S.; López-Ram-De-Viu,P.; Salvatella,L.; Mayoral, J. A.; Fraile,J. M. Stereochemical outcome of copper-catalyzed C-H insertion reactions. an experimental and theoretical study. JOURNAL OF ORGANIC CHEMISTRY. 2013. DOI: 10.1021/jo400415b
- Mayoral, José Antonio; Rodríguez-Rodríguez, Sergio; Salvatella, Luis. A Theoretical Insight into the Mechanism of the Silver-Catalysed Transsiliranation Reaction. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY. 2010
- Fraile, J. M.; Garcia, J. I.; Herrerias, C. I.; Mayoral, J. A.; Pires, E.; Salvatella, L. Beyond Reuse in Chiral Immobilized Catalysis: The Bis(Oxazoline) Case. CATALYSIS TODAY. 2009. DOI: 10.1016/j.cattod.2008.07.010
- Antonio Mayoral, J.;Rodriguez-Rodriguez,S.;Salvatella,L. Theoretical Insights into Enantioselective Catalysis: The Mechanism of the Kharasch-Sosnovsky Reaction. CHEMISTRY - A EUROPEAN JOURNAL. 2008
- Carmona, D.;Lamata, M. P.;Viguri, F.;Rodriguez, R.;Barba, C.;Lahoz, F. J.;Martin, M. L.;Oro, L. A.;Salvatella, L. Complete Characterization of a Chiral Lewis Acid-Product Complex for the Enantioselective Diels-Alder Reaction between Methacrolein and Cyclopentadiene: Mechanistic Considerations. ORGANOMETALLICS. 2007
- Barba,C.;Carmona,D.;Garcia,J. I.;Lamata,M. P.;Mayoral,J. A.;Salvatella,L.;Viguri,F. Conformational preferences of methacrolein in Diels-Alder and 1,3-dipolar cycloaddition reactions. JOURNAL OF ORGANIC CHEMISTRY. 2006
- Cornejo, Alfonso;Fraile, Jose M;Garcia, Jose I;Gil, Maria J;Martinez Merino, Victor;Mayoral, Jose A;Salvatella, Luis. Computational mechanistic studies on enantioselective pybox-ruthenium- catalyzed cyclopropanation reactions. ORGANOMETALLICS. 2005
- J. I. García; J. A. Mayoral; L. Salvatella. The Source of the Endo Rule in the Diels–Alder Reaction: Are Secondary Orbital Interactions Really Necessary?. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY. 2005
- Garcia, J. I.;Mayoral, J. A.;Salvatella, L. Solvent effects on the 9-hydroxymethylanthracene + N-ethylmaleimide Diels-Alder reaction. A theoretical study. JOURNAL OF ORGANIC CHEMISTRY. 2005
- Cornejo, Alfonso;Fraile, Jose M;Garcia, Jose I;Gil, Maria J;Martinez Merino, Victor;Mayoral, Jose A;Salvatella, Luis. Asymmetric versus C//2-symmetric ligands: Origin of the enantioselectivity in ruthenium-pybox-catalyzed cyclopropanation reactions. ANGEWANDTE CHEMIE (INTERNATIONAL ED.). 2005
- Fraile, J. M.; Garcia, J. I.; Lafuente, G.; Mayoral, J. A.; Salvatella, L. Bis(Oxazoline)-Copper Complexes, Immobilized by Electrostatic Interactions, as Catalysts for Enantioselective Aziridination. ARKIVOC. 2004
- Fraile, Jose M.;Garcia, Jose I.;Gil, Maria J.;Martinez Merino, Victor;Mayoral, Jose A.;Salvatella, Luis. Theoretical Insights into the Role of a Counterion in Copper-Catalyzed Enantioselective Cyclopropanation Reactions. CHEMISTRY - A EUROPEAN JOURNAL. 2004
- Fraile, J. M.;Garcia, J. I.;Mayoral, J. A.;Salvatella, L.;Vispe, E.;Brown, D. R.;Fuller, G. Experimental and Theoretical Studies on Structure-Reactivity Relationships of Titanium-Modified Silicas in the Hydrogen Peroxide-Promoted Oxidation of Cyclohexene. JOURNAL OF PHYSICAL CHEMISTRY. B. 2003
- Fernandez, A. I.;Fraile, J. M.;Garcia, J. I.;Herrerias, C. I.;Mayoral, J. A.;Salvatella, L. Reversal of enantioselectivity by change of solvent with clay-immobilized bis(oxazoline)-copper catalysts. CATALYSIS COMMUNICATIONS. 2001
- Fraile, J. M;Garcia, J. I;Martinez Merino, V. ;Mayoral, J. A;Salvatella, L. Theoretical (DFT) insights into the mechanism of copper-catalyzed cyclopropanation reactions. Implications for enantioselective catalysis. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2001
- Fraile, Jose M.;Garcia, Jose I.;Gomez, Maria A.;de la Hoz, Antonio;Mayoral, Jose A.;Moreno, Andres;Prieto, Pilar;Salvatella, Luis;Vazquez, Ester. Tandem diels-alder aromatization reactions of furans under unconventional reaction conditions - experimental and theoretical studies. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY. 2001
- Garcia, J.I.;Mayoral, J.A.;Salvatella, L. Do Secondary Orbital Interactions Really Exist. ACCOUNTS OF CHEMICAL RESEARCH. 2000
- Fraile, J. M.;Garcia, J. I.;Mayoral, J. A.;Pires, E.;Salvatella, L.;Ten, M. On the nature of the Lewis acid sites of aluminum-modified silica. A theoretical and experimental study. JOURNAL OF PHYSICAL CHEMISTRY. B. 1999
- Garcia, J. I.;Mayoral, J. A.;Salvatella, L. Theoretical evidence of a feasible concerted antara-antara cycloaddition. CHEMICAL COMMUNICATIONS. 1999
- Salvatella, Luis; Ruiz-López, Manuel F. A Density Functional Study on the Coordination of Aldehydes to N-Sulfonyl 1,3,2-Oxazaborolidin-5-one. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1999
- Salvatella, Luis; Mokrane, Ahmed; Cartier, Alain; Ruiz-López, Manuel F. The Role of Menthyl Group in Catalyzed Asymmetric Diels-Alder Reactions. A Combined Quantum Mechanics/Molecular Mechanics Study. JOURNAL OF ORGANIC CHEMISTRY. 1998
- Salvatella, Luis; Mokrane, Ahmed; Cartier, Alain; Ruiz-López, Manuel F. Combined AM1/MM3 computations on organic systems: the Diels-Alder reaction as a test case. CHEMICAL PHYSICS LETTERS. 1998
- Notario, R.;Abboud, J. L. M.;Cativiela, C.;Garcia, J. I.;Herreros, M.;Homan, H.;Mayoral, J. A.;Salvatella, L. Dramatic medium effects on reactivity. The ionization sites of pyrrole and indole carboxylic acids. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1998
- Garcia, J. I.;Martinez-Merino, V.;Mayoral, J. A.;Salvatella, L. Density functional theory study of a Lewis acid catalyzed Diels-Alder reaction. The butadiene plus acrolein paradigm. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1998
- Cativiela, C.;Garcia, J. I.;Gil, J.;Martinez, R. M.;Mayoral, J. A.;Salvatella, L.;Urieta, J. S.;Mainar, A. M.;Abraham, M. H. Solvent effects on Diels-Alder reactions. The use of aqueous mixtures of fluorinated alcohols and the study of reactions of acrylonitrile. JOURNAL OF THE CHEMICAL SOCIETY. PERKIN TRANSACTIONS. II. 1997
- Garcia, J. I.;Mayoral, J. A.;Salvatella, L. An ab initio study on the conformational and endo. TETRAHEDRON. 1997
- Garcia, J. I.;Mayoral, J. A.;Salvatella, L. Is it [4+2] or [2+4]? A new look at Lewis acid catalyzed Diels-Alder reactions. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1996
- Cativiela, C.;Garcia, J. I.;Mayoral, J. A.;Salvatella, L. N-acyl imine. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 1996
- Cativiela, C.;Garcia, J. I.;Mayoral, J. A.;Salvatella, L. Modelling of solvent effects on the Diels-Alder reaction. CHEMICAL SOCIETY REVIEWS. 1996
- Garcia, J. I.;Mayoral, J. A.;Salvatella, L.;Assfeld, X.;Ruiz Lopez, M. F. On the conformational preferences of alpha,beta-unsaturated carbonyl compounds. An ab initio study. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 1996
- Cativiela, C.;Dillet, V.;Garcia, J. I.;Mayoral, J. A.;Ruiz Lopez, M. F.;Salvatella, L. Solvent Effects on Diels-Alder Reactions - a Semiempirical Study. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 1995
- Assfeld, X.;Ruiz Lopez, M. F.;Garcia, J. I.;Mayoral, J. A.;Salvatella, L. Importance of Electronic and Nuclear-Polarization Energy on Diastereofacial Selectivity of Diels-Alder Reactions in Aqueous-Solution. JOURNAL OF THE CHEMICAL SOCIETY. CHEMICAL COMMUNICATIONS. 1995
- Cativiela, C.;Garcia, J. I.;Mayoral, J. A.;Salvatella, L. Solvent Effects on Endo. JOURNAL OF THE CHEMICAL SOCIETY. PERKIN TRANSACTIONS. II. 1994
- Cativiela, C.;Garcia, J. I.;Mayoral, J. A.;Salvatella, L. On the Role of Hexafluoroisopropanol in Diels-Alder Reactions of Acid-Sensitive Reagents. CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE. 1994
- Cativiela, C.;Garcia, J. I.;Garin, J.;Mayoral, J. A.;Orduna, J.;Salvatella, L. Identification of Diels-Alder Regioisomers by Mass-Spectrometry Coupled with Theoretical Calculations. ORGANIC MASS SPECTROMETRY. 1993
- Ruiz Lopez, M. F.;Assfeld, X.;Garcia, J. I.;Mayoral, J. A.;Salvatella, L. Solvent Effects on the Mechanism and Selectivities of Asymmetric Diels-Alder Reactions. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1993
- Cativiela, C.;Garcia, J. I.;Mayoral, J. A.;Royo, A. J.;Salvatella, L. Fluorinated Alcohols as Solvents for Diels-Alder Reactions of Chiral Acrylates. TETRAHEDRON: ASYMMETRY. 1993
- Cativiela, C.;Garcia, J. I.;Mayoral, J. A.;Royo, A. J.;Salvatella, L.;Assfeld, X.;Ruizlopez, M. F. Experimental and Theoretical-Study of the Influence of the Solvent on Asymmetric Diels-Alder Reactions. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY. 1992
Capítulos
- Addition of Ketocarbenes to Alkenes, Alkynes, and Aromatic Systems. García, J. I.; Salvatella, L.; Pires, E.; Fraile, J. M.; Mayoral, J. A. COMPREHENSIVE ORGANIC SYNTHESIS II. 2014
Proyectos
- E37_23R: Catálisis Heterogénea en Síntesis Orgánicas Selectivas. 01/01/23 - 31/12/25
- PID2021-125762NB-I00. DISEÑO DE LIQUIDOS IONICOS Y DISOLVENTES EUTECTICOS DERIVADOS DE GLICEROL PARA APLICACIONES CATALITICAS. 01/09/22 - 31/08/25
- E37_20R: Catálisis Heterogénea En Síntesis Orgánicas Selectivas. 01/01/20 - 31/12/22
- RTI2018-093431-B-I00. RESIDUOS COMO MATERIAS PRIMAS: TRANSFORMACIONES QUÍMICAS EN ECONOMIA CIRCULAR. 01/01/19 - 30/09/22
- GRUPO DE REFERENCIA CATÁLISIS HETEROGÉNEA EN SÍNTESIS ORGÁNICAS SELECTIVAS. 01/01/17 - 31/12/19
- GRUPO CONSOLIDADO E11 CATÁLISIS HETEROGÉNEA EN SÍNTESIS ORGÁNICAS SELECTIVAS. 01/01/16 - 31/12/16
- CTQ2014-52367-R CATÁLISIS Y DISOLVENTES PARA PROCESOS DE BIORREFINERÍA SOSTENIBLES. 01/01/15 - 31/12/18
- GRUPO CONSOLIDADO E11 CATÁLISIS HETEROGÉNEA EN SÍNTESIS ORGÁNICAS SELECTIVAS. 01/01/15 - 31/12/15
- GRUPO CONSOLIDADO E11 CATÁLISIS HETEROGÉNEA EN SÍNTESIS ORGÁNICAS SELECTIVAS. 01/01/14 - 31/12/14
- GRUPO CONSOLIDADO E11 CATÁLISIS HETEROGÉNEA EN SÍNTESIS ORGÁNICAS SELECTIVAS. 01/01/13 - 31/12/13
- MEJORA DE ACTIVIDAD CATALÍTICA Y SELECTIVIDADES MEDIANTE INMOVILIZACIÓN Y FORMACIÓN DE ESTRUCTURAS METAL-ORGÁNICAS. 01/01/12 - 31/12/14
- GRUPO CONSOLIDADO E11 CATALISIS HETEROGENEA EN SINTESIS ORGANICAS SELECTIVAS. 01/01/11 - 31/12/12
- CATALIZADORES ENANTIOSELECTIVOS INMOVILIZADOS: EFECTOS DE SUPERFICIE, APLICACIÓN A NUEVAS REACCIONES Y SISTEMAS MULTITAREA. 01/01/09 - 31/12/11
- GRUPO EXCELENTE E11 CATÁLISIS HETEROGENEA EN SÍNTESIS ORGÁNICAS SELECTIVAS. 01/01/08 - 31/12/10
- CSD2006-0003. DISEÑO DE CATALIZADORES PARA UNA QUIMICA SOSTENIBLE: UNA APROXIMACION INTEGRADA (INTECAT). 15/09/06 - 31/12/11
- CTQ2005-08016-C04-01/BQU. NUEVOS CONCEPTOS EN CATALISIS ENANTIOSELECTIVA SOPORTADA: REACTIVIDAD Y SELECTIVIDAD EN ESPACIOS RESTRINGIDOS. 31/12/05 - 30/12/08
- GRUPO EXCELENTE E11 CATALISIS HETEROGENEA EN SINTESIS ORGANICAS SELECTIVAS. 01/01/05 - 31/12/07
- UTILIZACION DE FOSFATOS NATURALES MARROQUIES EN LA PROTECCION DEL MEDIO AMBIENTE.CATALISIS DE REACCIONES LIMPIAS. 01/01/04 - 31/12/05
- GRUPO CONSOLIDADO E11 CATALISIS HETEROGENEA EN SINTESIS ORGANICAS SELECTIVAS. 01/01/03 - 31/12/04
- DESARROLLO DE NUEVOS CATALIZADORES ENANTIOSELECTIVOS INMOVILIZADOS ESTABLES Y REUTILIZABLES, BASADOS EN LIGANDOS PROCEDENTES DE AMINOALCOHOLES. 01/11/02 - 31/10/05
- MODELIZACION DE CATALIZADORES QUIRALES PARA SINTESIS ORGANICAS ENANTIOSELECTIVAS MEDIANTE METODOS HIBRIDOS MECANICA CUANTICA/MECANICA MOLECULAR (MC/MM). 01/01/00 - 31/12/01
- MAT99-1176-CO3-01 DISEÑO PREPARACION Y APLICACION DE CATALIZADORES QUIRALESSOPORTADOS.ANALISIS DE LOS EFECTOS DEL SOPORTE. 31/12/99 - 31/12/02
Dirección de tesis
- Modelización de reacciones de valorización de compuestos orgánicos para la implantación de la Economía Circular. Universidad de Zaragoza. Sobresaliente cum laude. 17/01/20
- Estudio teórico de reacciones catalizadas por complejos de cobre y plata. Universidad de Zaragoza. Sobresaliente "Cum Laude". 03/07/09
Dirección de proyectos fin de grado
- Estudio teórico del ciclo catalítico de la reacción de Ullmann de clorobenceno catalizada por Pd(0). Universidad de Zaragoza. Notable. 16/12/22
- Estudio teórico del mecanismo de reacción del homoacoplamiento de clorobenceno catalizado por clústeres de Pd(0). Universidad de Zaragoza. Matrícula de honor. 26/09/22
- Modelización de reacciones de sustitución nucleófila de residuos de fabricación de lindano. Universidad de Zaragoza. Notable. 17/09/20
- Modelización de reacciones de deshidrocloración de residuos de fabricación de lindano. Universidad de Zaragoza. Sobresaliente. 27/09/19
- Disolventes derivados de materias primas renovables: estudio teórico de las reacciones de alcóxidos con glicidol y epiclorhidrina. Universidad de Zaragoza. Sobresaliente. 03/10/16
Dirección de proyectos fin de master
- Diseño y caracterización de nuevos disolventes verdes. Universidad de Zaragoza. Sobresaliente. 24/09/14
- Prácticas en empresa: Ercros (Sabiñánigo). Universidad de Zaragoza. Sobresaliente. 24/09/13
UNIZAR teaching of the last six courses
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