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Nery Andrés Villegas Escobar

Profesor Asistente

Universidad de Concepción

Concepción, Chile

Chemical Theory & Computation; Low Valent Main Group Chemistry; Chemical Reactivity; Reaction Mechanisms; Catalysis; Theory of Chemical Reactions.

BSc Chemistry, PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE. Chile, 2015
PhD Chemistry, PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE. Chile, 2020

Bachelor Tesist Full Time

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Facultad de Química y de Farmacia

Santiago, Chile

2014 - 2014
Graduaste Tesist Full Time

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Facultad de Química y de Farmacia

Santiago, Chile

2016 - 2020
Research Scholar Full Time

UNIVERSITY OF GEORGIA

Chemistry

Athens, Estados Unidos

2018 - 2018
Research Scholar Full Time

UNIVERSITY OF GEORGIA

Chemistry

Athens, Chile

2019 - 2019
Postdoctoral Research Assistant Part Time

UNIVERSIDAD BERNARDO O'HIGGINS

Centro Integrativo de Biología y Química Aplicada

Santiago, Chile

2020 - 2022
Profesor Asistente Full Time

UNIVERSIDAD DE CONCEPCION

Facultad de Ciencias Químicas

Concepción, Chile

2022 - At present

Researcher Full Time

Sherwin Wiliams Chile S.A.

Santiago, Chile

2010 - 2011
Teacher Assistant · Organic Chemistry Lab for Engineering Sciences Part Time

Pontificia Universidad Católica de Chile

Santiago, Chile

2014 - 2014
Tutor · General Chemistry Part Time

Universidad San Sebastián

Santiago, Chile

2012 - 2012
Teacher Assistant · Inorganic Chemistry Part Time

Pontificia Universidad Católica de Chile

Santiago, Chile

2013 - 2013
Teacher Assistant · Organic Chemistry Lab Part Time

Pontificia Universidad Católica de Chile

Santiago, Chile

2014 - 2014
Tutor · General Chemistry Part Time

Pontificia Universidad Católica de Chile

Santiago, Chile

2015 - 2018
Teacher Assistant Ad Honorem · Computational Chemistry Part Time

Pontificia Universidad Católica de Chile

Santiago, Chile

2017 - 2017
Teacher Assistant · Introduction to Quantum Chemistry Part Time

Pontificia Universidad Católica de Chile

Santiago, Chile

2015 - 2018
Teacher · General Chemistry Part Time

Pontificia Universidad Católica de Chile

Santiago, Chile

2018 - 2019
Teacher Assistant Ad Honorem · Advanced Physical Chemistry - PhD Program in Chemistry Part Time

Pontificia Universidad Católica de Chile

Santiago, Chile

2017 - 2017
Associate Teacher · Diploma Course in Chemistry Part Time

Pontificia Universidad Católica de Chile

Santiago, Chile

2016 - 2016
Associate Teacher · Diploma Course in Chemistry Part Time

Pontificia Universidad Católica de Chile

Santiago, Chile

2018 - 2018

ORAL PRESENTATIONS

(1) Villegas-Escobar, N.; Schaefer III, H. F. and Toro-Labbé, A.
“sigma-Bond Metathesis and Hydroboration of Carbon Dioxide by Hydride Group 14 Catalysts”,
XLIV Congress of Theoretical Chemists of Latin Expression (QUITEL)
8–12 October, 2018, Santiago, Chile.

POSTER PRESENATATIONS

(1) Villegas-Escobar, N.; Miranda, S.; Díaz, S. and Toro-Labbé, A.
“Efecto del Sustituyente en un Grupo de Reacciones de Diels-Alder”.
XXX Jornadas de Química, Sociedad Chilena de Química,
12–15 November 2013, Pucón , Chile.

(2) Villegas-Escobar, N.; Miranda, S.; Díaz, S. and Toro-Labbé, A.
“The Effect of the Substituent in Diels-Alder Reactions”,
Workshop Universidad Catœlica de Chile/University of California Davis,
7–9 July 2014, PUC, Santiago de Chile.

(3) Villegas-Escobar, N.; Miranda, S.; Díaz, S. and Toro-Labbé, A.
“The Effect of Substituents on the Energy Barrier in Diels-Alder Reactions. Revisited”,
World Association of Theoretical and Computational Chemists (WATOC),
5–10 October 2014, Santiago de Chile.

(8) Villegas-Escobar, N.; Vilhelmsen, M. H.; Gutiérrez-Oliva, S.; Hashmi, A. S. K. and Toro-Labbé, A.
“Double Gold Activation of 1-Ethynyl-2-(Phenylethynyl)Benzene Toward 5-exo-dig and 6-endo-dig Cyclization Reactions”,
XLII Congress of Theoretical Chemists of Latin Expression (QUITEL),
20–25 November 2016, Montevideo, Uruguay.

(9) Villegas-Escobar, N.; Stefan Vogt-Geisse; Gutiérrez-Oliva, S. and Toro-Labbé, A.
“Symmetry Adapted Reaction Electronic Flux in Cycloaddition Reactions”,
XLII Congress of Theoretical Chemists of Latin Expression (QUITEL),
20–25 November 2016, Montevideo, Uruguay.

(10) Villegas-Escobar, N.; Vilhelmsen, M. H.; Gutiérrez-Oliva, S.; Hashmi, A. S. K. and Toro-Labbé, A.
“Double Gold Activation of 1-Ethynyl-2-(Phenylethynyl)Benzene Toward 5-exo-dig and 6-endo-dig Cyclization Reactions”,
XLIII Congress of Theoretical Chemists of Latin Expression (QUITEL),
3–7 July, 2017, Paris, France.

(11) Villegas-Escobar, N.; Schaefer III, H. F. and Toro-Labbé, A.
“CO2 Transformation by Main Group Catalysts”,
X Jornadas Chilenas de Catálisis y Adsorción 2018,
28–30 November, 2018, Talca, Chile.

COLLABORATORS
National
1. Prof. Alejandro Toro-Labbé, Pontificia Universidad Católica de Chile.
2. Dra. Soledad Gutiérrez-Oliva, Pontificia Universidad Católica de Chile.
3. Dra. Bárbara Herrera, Pontificia Universidad Católica de Chile.
4. Dr. Ricardo A. Matute (SR), Universidad Bernardo O’Higgins.
5. Dra. Daniela E. Ortega, Universidad Bernardo O’Higgins.
6. Dr. Diego Cortés-Arriagada, Universidad Tecnológica Metropolitana.
7. Dr. Stefan Vogt-Geisse, Universidad de Concepción.
8. Dr. Iván González, Universidad Central de Chile.
9. Dr. Jerónimo Maze, Pontificia Universidad Católica de Chile.

International
10. Prof. Henry F. Schaefer III, University of Georgia, USA.
11. Dr. Justin M. Turney, University of Georgia, USA.
12. Prof. Miquel Solà, Universitat de Girona, Spain.
13. Dr. Albert Poater, Universitat de Girona, Spain.
14. Prof. A. S. K. Hashmi, Heidelberg University, Germany
15. Prof. Luis Rincón, Universidad San Francisco de Quito, Ecuador.
16. Dr. José R. Mora, Universidad San Francisco de Quito, Ecuador.
17. Prof. Norberto Castellani, Universidad Nacional del Sur, Argentina.
18. Dr. Ricardo Ferullo, Universidad Nacional del Sur, Argentina.
19. Dra. Ana C. Rossi-Fernández, Universidad Nacional del Sur, Argentina.
20. Dr. Preston R. Hoobler, Covenant Collegue, USA.

Honor Fellowship 2012

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Chile, 2012

It is an award for academic excellence for undergraduate students who demonstrate excellent academic performance upon entering or during their stay at the University.
Honor Fellowship 2013

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Chile, 2013

It is an award for academic excellence for undergraduate students who demonstrate excellent academic performance upon entering or during their stay at the University.
Honor Fellowship 2014

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Chile, 2014

It is an award for academic excellence for undergraduate students who demonstrate excellent academic performance upon entering or during their stay at the University.
English UC Award

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Chile, 2015

Distinction given by the Pontificia Universidad Católica de Chile and the Instituto Chileno Británico to reward the improvement in the study of English and the academic performance. The award is an all-paid English course in London, United Kingdom.
Summer Program CCQC

UNIVERSITY OF GEORGIA

Chile, 2015

Fellowship to participate in a 10-week Summer Program in computational chemistry at the prestigious Center for Computational Quantum Chemistry (CCQC), University of Georgia, USA.
Best Trajectory in Chemistry Award

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Chile, 2015

Award given according to the academic excellence maintained through the Bachelor program in chemistry and also the total number of semesters under the program. This Award is given during the graduation ceremony.
National Fellowship for PhD Studies CONICYT

CONICYT

Chile, 2016

Beca Doctorado Nacional CONICYT, convocatoria 2016
Best Student in the PhD Program 2016

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Chile, 2017

Award given due to the obtained academic performance during the PhD program.
Lindau Nobel Laureate Meetings Fellowship

COUNCIL OF THE LINDAU NOBEL LAUREATE MEETINGS, GERMANY

Alemania, 2017

Fellowship to participate as young researcher to the Lindau Nobel Laureate Meetings, Lindau, Germany. Supported by the Arconic Foundation and co-funded by the OPEC Fund for International Development (OFID).
"Becas Chile Pasantía Doctoral" CONICYT

CONICYT

Chile, 2019

Fellowship to carry out an internship of 10 months at the University of Georgia, USA.
Maximum Distinction PhD Chemistry

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Chile, 2020

Distinction given by the Facultad de Quimica y de Farmacia for the obtention of the PhD degree with Honors.
Excellence in Doctoral Thesis Award in Chemical, Physical, and Mathematical Sciences 2020

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Chile, 2020

Best thesis and trajectory in Chemical, Physical, and Mathematical Sciences 2020. Graduation Ceremony.


Air- and Water-Stable Heteroleptic Copper (I) Complexes Bearing Bis(indazol-1-yl)methane Ligands: Synthesis, Characterisation, and Computational Studies Costa, David Moreno-da; Zuniga-Loyola, Cesar; Droghetti, Federico; Robles, Stephania; Villegas-Menares, Alondra; Villegas-Escobar, Nery; Gonzalez-Pavez, Ivan; Molins, Elies; Natali, Mirco; Cabrera, Alan R. Article ISI MOLECULES (2024)
Bulky and Electron-Deficient α-Iminocarboxamidato-Nickel(II) Complexes: A Study of the Steric and Electronic Effects on Ethylene Activation Skarjan, Leon; Villegas-Escobar, Nery; Correa, Sebastian A.; Daniliuc, Constantin G.; Matute, Ricardo A.; Rojas, Rene S. Article ISI EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2021)
Contrasting the Mechanism of H-2 Activation by Monomeric and Potassium-Stabilized Dimeric Al-I Complexes: Do Potassium Atoms Exert any Cooperative Effect? Villegas-Escobar, Nery; Toro-Labbe, Alejandro; Schaefer, Henry F., III Article ISI CHEMISTRY-A EUROPEAN JOURNAL (2021)
Substituent Effects on Aluminyl Anions and Derived Systems: A High-Level Theory Hoobler, Preston R.; Villegas-Escobar, Nery; Turney, Justin M.; Toro-Labbe, Alejandro; Schaefer, Henry F. I. I. I. I. I. I. Article ISI JOURNAL OF PHYSICAL CHEMISTRY A (2021)
The Keto-Enol Tautomerism of Biliverdin in Bacteriophytochrome: Could it Explain the Bathochromic Shift in the Pfr Form?(dagger) Villegas-Escobar, Nery; Matute, Ricardo A. Article ISI PHOTOCHEMISTRY AND PHOTOBIOLOGY (2021)
Toward a Neutral Single-Component Amidinate Iodide Aluminum Catalyst for the CO2 Fixation into Cyclic Carbonates Saltarini, Sebastian; Villegas-Escobar, Nery; Martinez, Javier; Daniliuc, Constantin G.; Matute, Ricardo A.; Gade, Lutz H.; Rojas, Rene S. Article ISI INORGANIC CHEMISTRY (2021)
Trapping an unusual pentacoordinate carbon atom in a neutral trialuminum complex Villegas-Escobar, Nery; Martinez, Javier; Matute, Ricardo A.; Saltarini, Sebastian; Daniliuc, Constantin G.; Gade, Lutz H.; Rojas, Rene S. Article ISI CHEMICAL COMMUNICATIONS (2021)
Formation of Formic Acid Derivatives through Activation and Hydroboration of CO2 by Low-Valent Group 14 (Si, Ge, Sn, Pb) Catalysts Villegas-Escobar N.; Schaefer H.F.; Toro-LabbÃ© A. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2020)
Phenoxylation of Alkynes through Mono- and Dual Activation Using Group 11 (Cu, Ag, Au) Catalysts Ramos M.; Poater J.; Villegas-Escobar N.; Gimferrer M.; Toro-LabbÃ© A.; Cavallo L.; Poater A. Article ISI SCOPUS EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2020)
Theoretical study of glycine amino acid adsorption on graphene oxide Rossi-FernÃ¡ndez A.C.; Villegas-Escobar N.; GuzmÃ¡n-Angel D.; GutiÃ©rrez-Oliva S.; Ferullo R.M.; Castellani N.J.; Toro-LabbÃ© A. Article ISI SCOPUS Journal of Molecular Modeling (2020)
Decomposition of the electronic activity in competing [5,6] and [6,6] cycloaddition reactions between C-60 and cyclopentadiene Villegas-Escobar, N; Poater A.; Sola, M; Schaefer, HF; Toro-Labbe, A. Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)
Fe-doped graphene nanosheet as an adsorption platform of harmful gas molecules (CO, CO2, SO2 and H2S), and the co-adsorption in O-2 environments Cortés-Arriagada, Diego; Villegas-Escobar, Nery; Ortega, Daniela E. Article ISI SCOPUS APPLIED SURFACE SCIENCE (2018)
Reaction Electronic Flux Perspective on the Mechanism of the Zimmerman Di-pi-methane Rearrangement Matute, Ricardo A.; Perez, Patricia; Chamorro, Eduardo; Villegas-Escobar, Nery; Cortes-Arriagada, Diego; Herrera, Barbara; Gutierrez-Oliva, Soledad; Toro-Labbe, Alejandro Article ISI SCOPUS Journal of Organic Chemistry (2018)
Substituent effects on the photophysical properties of amino-aurone-derivatives MuÃ±oz-Becerra K.; Villegas-Escobar N.; ZÃºÃ±iga-Loyola C.; CortÃ©s-Arriagada D.; Toro-LabbÃ© A. Article ISI SCOPUS MOLECULAR PHYSICS (2018)
A DFT analysis of the adsorption of nitrogen oxides on Fe-doped graphene, and the electric field induced desorption Cortés-Arriagada D.; Villegas-Escobar N. Article ISI SCOPUS APPLIED SURFACE SCIENCE (2017)
A DFT study of hydrogen and methane activation by B(C6F5)(3)/P(t-Bu)(3) and Al(C6F5)(3)/P(t-Bu)(3) frustrated Lewis pairs Villegas-Escobar N.; Toro-Labbé A.; Becerra M.; Real-Enriquez M.; Mora J.R.; Rincon L. Article ISI SCOPUS Journal of Molecular Modeling (2017)
Adsorption/desorption process of formaldehyde onto iron doped graphene: a theoretical exploration from density functional theory calculations Cortés-Arriagada, Diego; Villegas-Escobar, Nery; Miranda-Rojas, Sebastián; Toro-Labbé, Alejandro Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Double Gold Activation of 1-Ethynyl-2-(Phenylethynyl)Benzene Toward 5-exo-dig and 6-endo-dig Cyclization Reactions Nery Villegas-Escobar, Mie Hojer Vilhelmsen; Soledad Gutiérrez-Oliva, A. Stephen K. Hashmi Article Chemistry A European Journal (2017)
Radicals derived from acetaldehyde and vinyl alcohol Estep, ML; Morgan, WJ; Winkles, AT; Abbott, AS; Villegas-Escobar, N; Mullinax, JW; Turner, WE; Wang, X; Turney, JM; Schaefer, HF Article ISI SCOPUS Physical Chemistry Chemical Physics (2017)
Why Low Valent Lead(II) Hydride Complex Would be a Better Catalyst for CO2 Activation than Its 14 Group Analogues? Villegas-Escobar, Nery; Ortega, Daniela E.; Cortés-Arriagada, Diego; Durán, Rocío; Yepes, Diana; Gutiérrez-Oliva, Soledad; Toro-Labbé, Alejandro Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Symmetry-adapted reaction electronic flux in cycloaddition reactions Villegas-Escobar, Nery; Vogt-Geisse, Stefan; Gutiérrez-Oliva, Soledad; Toro-Labbé, Alejandro Article ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2016)
Catalytic Mechanism of H-2 Activation by a Carbenoid Aluminum Complex Villegas-Escobar, N; Gutierrez-Oliva, S; Toro-Labbe, A Article ISI SCOPUS Journal of Physical Chemistry C (2015)


Development and Application of the Diabatic Model of Intermediate Stabilization for Reaction Mechanism Analysis and Catalyst Design. Matute, Ricardo A.; Villegas-Escobar, Nery Proyecto (2022)
Turning Waste CO2 into Valuable Chemicals Using a Neutral Carbon Footprint Strategy Chimenton, Ricardo; Villegas-Escobar, Nery Proyecto (2022)
Unveiling the mechanism of chemical reactions. More on the reaction force and the characterization of transition states FONDECYT (1181072) Proyecto 2018-2020 Tesista
Chemical Processes and Catalysis Gobierno de Chile (ICM 120082) Proyecto 2015-2018 Personal técnico y/o de apoyo
The Mechanim of Hydrogenation Reactions of Amino Acids Precursors in the Interstellar Medium FONDECYT Regular (1141098) Proyecto 2014-2018 Investigador(a)
Toward a Theory of Chemical Reactions and Reaction Dynamics. FONDECYT Regular (1130072) Proyecto 2013-2017 Investigador(a)