Man

Pablo Cesar Jaque Olmedo

Profesor Asociado

Universidad de Chile

Santiago, Chile

Líneas de Investigación


Química Teórica y Computacional. Predicción de Potenciales Redox: DFT Computacional y Conceptual. Caracterización de Mecanismos de Reacción: (A)Sincronicidad. Reactividad Química en la Activación de Moléculas Inertes por Pares Frustrados de Lewis

Educación

  •  Química , UNIVERSIDAD DE CHILE. Chile, 2003
  •  Química , UNIVERSIDAD DE CHILE. Chile, 1997

Experiencia Académica

  •   Postdoctorado Full Time

    PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

    Química

    Santiago, Chile

    2004 - 2005

  •   Postdoctorado Full Time

    UNIVERSITY OF MINNESOTA

    Minnesota, Estados Unidos

    2005 - 2006

  •   Postdoctorado Full Time

    VRIJE UNIVERSITEIT BRUSSEL

    Brussels, Chile

    2007 - 2008

Experiencia Profesional

  •   Profesor Asistente Full Time

    Universidad Andrés Bello

    Santiago, Chile

    2009 - 2013

  •   Profesor Asociado Full Time

    Universidad Andrés Bello

    Santiago, Chile

    2013 - 2016

  •   Profesor Titular Full Time

    Universidad Andrés Bello

    Santiago, Chile

    2017 - 2018

Formación de Capital Humano


Pregrado:
Kevin Urrutia, Universidad Andrés Bello (2018)
César Barrales, Universidad Andrés Bello (2015)
Joel Valenzuela, Universidad Andrés Bello (2015)
Rodrigo Navarro, Universidad Andrés Bello (2014)

Doctorado:
Diana Yepes, Universidad Andrés Bello (2014)
Katerine Paredes, Universidad Andrés Bello (2014)
Mario Saavedra, Universidad Andrés Bello (2014)

Postdoctorado:
Oscar Donoso, Universidad Andrés Bello (2012-2015)



 

Article (64)

An Unusual Oxidative Dealkylation Strategy towards Functionalized Phenalenones as Singlet Oxygen Photosensitizers and Photophysical Studies
DFT benchmark study of the O-O bond dissociation energy in peroxides validated with high-level ab initio calculations
Elucidating sensing mechanisms of a pyrene excimer-based calix[4]arene for ratiometric detection of Hg( ii ) and Ag( i ) and chemosensor behaviour as INHIBITION or IMPLICATION logic gates
Real-Space Approach to the Reaction Force: Understanding the Origin of Synchronicity/Nonsynchronicity in Multibond Chemical Reactions
Synthesis, in vitro evaluation and molecular docking of a new class of indolylpropyl benzamidopiperazines as dual AChE and SERT ligands for Alzheimer’s disease
Effect of the exchange-correlation functional on the synchronicity/nonsynchronicity in bond formation in Diels-Alder reactions: a reaction force constant analysis
Further understanding of the Ru-centered [2+2] cycloreversion/cycloaddition involved into the interconversion of ruthenacyclobutane using the Grubbs catalysts from a reaction force analysis
Reaction mechanism of hydrogen activation by frustrated Lewis pairs
Scrutinizing the substituent effect on Mo-based electrocatalysts for molecular hydrogen release through axial-equatorial decomposition: a DFT study
Unexpected intramolecular N-arylcyano-beta-diketiminate cyclization in new aminoquinoline derivative complexes of aluminium for CO2 fixation into cyclic carbonates
A 3D visualization of the substituent effect A brief analysis of two components of the operational formula of dual descriptor for open-shell systems
A systematic electronic structure study of the O-O bond dissociation energy of hydrogen peroxide and the electron affinity of the hydroxyl radical
Hydrogenation of Multiple Bonds by Geminal Aminoborane-Based Frustrated Lewis Pairs
Solvent effect on the degree of (a)synchronicity in polar Diels-Alder reactions from the perspective of the reaction force constant analysis
Unveiling interactions between DNA and cytotoxic 2-arylpiperidinyl-1,4-naphthoquinone derivatives: A combined electrochemical and computational study
Effect of Lewis acid bulkiness on the stereoselectivity of Diels-Alder reactions between acyclic dienes and alpha,beta-enals
New imidoyl-indazole platinum (II) complexes as potential anticancer agents: Synthesis, evaluation of cytotoxicity, cell death and experimental-theoretical DNA interaction studies
Deeper Insight into the Factors Controlling H-2 Activation by Geminal Aminoborane-Based Frustrated Lewis Pairs
Theoretical characterization of first and second generation Grubbs catalysts in styrene cross-metathesis reactions: insights from conceptual DFT
A computational and conceptual DFT study on the mechanism of hydrogen activation by novel frustrated Lewis pairs
Clean Singlet Oxygen Production by a Re-I Complex Embedded in a Flexible Self-Standing Polymeric Silsesquioxane Film
Initiation stage of alkene metathesis: Insights from natural bond orbital and charge decomposition analyses
Insights into some Diels-Alder cycloadditions via the electrostatic potential and the reaction force constant
Theoretical study of dibenzyl disulfide adsorption on Cu-7 cluster as a first approximation to sulfur-induced copper corrosion process
Complementarity of reaction force and electron localization function analyses of asynchronicity in bond formation in Diels-Alder reactions
DFT Study on the Relative Stabilities of Substituted Ruthenacyclobutane Intermediates Involved in Olefin Cross-Metathesis Reactions and Their Interconversion Pathways
Driving and retarding forces in a chemical reaction
Photoemission Spectra and Density Functional Theory Calculations of 3d Transition Metal-Aqua Complexes (Ti-Cu) in Aqueous Solution
Polarizability of neutral copper clusters
Stability analysis of lithio-silicon Si10Li8 clusters: Planar bicyclic ring vs. three-dimensional structures
Traditional and Ion-Pair Halogen-Bonded Complexes Between Chlorine and Bromine Derivatives and a Nitrogen-Heterocyclic Carbene
Fine structure in the transition region: reaction force analyses of water-assisted proton transfers
Perspectives on the reaction force constant
The reaction force constant as an indicator of synchronicity/nonsynchronicity in [4+2] cycloaddition processes
Electronic activity in chelotropic and cycloaddition reactions
The reaction force constant: an indicator of the synchronicity in double proton transfer reactions
Oxidation Potential of Thiophene Oligomers: Theoretical and Experimental Approach
Structural effects of amphiphilic block copolymers on the gold nanoplates synthesis. Experimental and theoretical study
Theoretical analysis based on X-H bonding strength and electronic properties in red- and blue-shifting hydrogen-bonded X-H center dot center dot center dot pi complexes
Regaining the Woodward-Hoffmann rules for chelotropic reactions via conceptual DFT
Regioselectivity of Radical Additions to Substituted Alkenes: Insight from Conceptual Density Functional Theory
A New View on the Spectrochemical and Nephelauxetic Series on the Basis of Spin-Polarized Conceptual DFT
Analyzing Kullback-Leibler information profiles: an indication of their chemical relevance
Nucleophilicity and electrophilicity of silylenes from a molecular electrostatic potential and dual descriptor perspectives
Theoretical Study of the Regioselectivity of [2+2] Photocycloaddition Reactions of Acrolein with Olefins
Reaction force constant and projected force constants of vibrational modes along the path of an intramolecular proton transfer reaction
The study of redox reactions on the basis of conceptual DFT principles: EEM and vertical quantities
Can electrophilicity act as a measure of the redox potential of first-row transition metal ions?
Computational electrochemistry: The aqueous Ru3+vertical bar Ru2+ reduction potential
Molecular structure and bonding of copper cluster monocarbonyls CunCO (n=1-9)
Reaction force analysis of the effect of Mg(II) on the 1,3 intramolecular hydrogen transfer in thymine
Connection between the average local ionization energy and the Fukui function
The reaction force: Three key points along an intrinsic reaction coordinate
The formation of neutral copper clusters from experimental binding energies and reactivity descriptors
Towards understanding the molecular internal rotations and vibrations and chemical reactions through the profiles of reactivity and selectivity indices: an ab initio SCF and DFT study
Characterization of copper clusters through the use of density functional theory reactivity descriptors
Flow injection method for preconcentration and polarographic determination of copper in water
Theoretical study of the double proton transfer in the CHX-XH center dot center dot center dot CHX-XH (X = O, S) complexes
Using Sanderson's principle to estimate global electronic properties and bond energies of hydrogen-bonded complexes
Simultaneous determination of chlordiazepoxide and clidinium bromide in pharmaceutical formulations by derivative spectrophotometry
Validity of the minimum polarizability principle in molecular vibrations and internal rotations: An ab initio SCF study
Determinacion simultanea de azomicina y ornidazol por espectrofotometria derivada de primer orden
Sistma de flujo continuo no segmentado con detección polarográfica para la determinación de ranitidina en formas farmacéuticas y orina
Flow‐through polarographic cell for flow‐injection analysis. Determination of nifedipine in pharmaceutical formulations

Proyecto (10)

H2 ACTIVATION AND HYDROGENATION OF UNSATURATED COMPOUNDS BY FRUSTRATED LEWIS PAIRS: TOWARDS A UNIFIED REACTIVITY MODEL
SEARCHING FOR A SYNERGISTIC EFFECT OF SUBSTITUENTS IN MO-BASED ORGANOMETALLIC COMPOUNDS TO ACTIVATE DIHYDROGEN: A QUANTUM CHEMICAL STUDY
COMPUTATIONAL DESIGN OF MOLYBDENUM-OXO ELECTROCATALYSTS TO PRODUCE MOLECULAR HYDROGEN BASED ON THE CONCEPTUAL DENSITY-FUNCTIONAL THEORY AND THE REACTION FORCE ANALYSIS
REACTION FORCE CONSTANT AS AN INDICATIVE OF THE DEGREE OF SYNCHRONICITY/NONSYNCHRONICITY IN REACTION MECHANISMS: APPLICATIONS TO ONDE-BOND AND MULTI-BOND CHEMICAL REACTIONS
ESTUDIO TEORICO DE INTERACCIONES DEBILES DEL TIPO ENLACE DE HIDROGENO Y PUENTE DE HALOGENO EN SISTEMAS NO-CONVENCIONALES, X-H(HAL) ---PI
STUDY OF COPPER CORROSION BY DIBENZYL DISULFIDE AND ITS INHIBITION PROCESS IN DIELECTRIC MEDIUM
ELECTROCHEMISTRY: COMPUTATIONAL AND CONCEPTUAL DFT
SYSTEMATIC STUDY OF CHEMICAL AND ELECTROCHEMICAL POLYMERIZATION OF MODIFIED POLYANILINES, SUBSTITUTED POLYTHIOPHENES, AND THEIR ANILINE CO-POLYMERS TO BE UTILIZED IN THE DEVELOPMENT OF PHOTOCELLS (NEW ENERGY
FUERZA DE REACCION: UNA NUEVA PERSPECTIVA PARA CARACTERIZAR MECANISMOS DE REACCIONES QUIMICAS
CARACTERIZACION TEORICA DE LAS PROPIEDADES CATALITICA DE LA SUPERFICIE DE Cu (111) FRENTE A CO Y H2
75
Pablo Jaque

Profesor Asociado

Química Orgánica y Fisicoquímica

Universidad de Chile

Santiago, Chile

20
Alejandro Toro

PROFESOR TITULAR

Química Física

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

5
Patricia Perez

Full Professor

Ciencias Químicas

UNIVERSIDAD ANDRÉS BELLO

Santiago, Chile

4
Maria Soledad Gutiérrez

Profesor Asociado

Química-Física

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

4
Jorge Martínez

Profesor asociado

de Ciencias Quimicas

Universidad Andres Bello

Santiago, Chile

3
Angel Leiva

Full Professor

Physical Chemistry

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

2
Juan Santos

UNIVERSIDAD ANDRES BELLO

santiago, Chile

2
Alan Cabrera

Profesor Asistente

Departamento de Química Inorganica

Pontificia Universidad Católica de Chile

Santiago, Chile

2
Rene Rojas

Professor

Chemistry

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

2
Esteban Vohringer-Martinez

Profesor Asociado

Físico-Química

FACULTAD DE CIENCIAS QUÍMICAS

Concepción, Chile

1
Andres Vega

Director

Departamento de Química

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

1
David David

Full professor

Analitycal and Inorganic Chemistry

UNIVERSIDAD DE CONCEPCION

Concepción, Chile

1
Oscar Douglas

Post-doctorando

CONICET

Córdoba Capital, Argentina

1
Cristian Salas

Associate professor

Organic Chemistry

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

1
GERMAN GUNTHER

PROFESOR Titular

Química Orgánica y Físico Química

UNIVERSIDAD DE CHILE

Santiago, Chile

1
EDUARDO CHAMORRO

Director Programa de Doctorado en Fisicoquímica Molecular

Departamento de Ciencias Químicas

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

1
Mario Saavedra

Asistente de Investigacion

Ciencias del Ambiente

Universidad de Santiago de Chile

Santiago, Chile

1
Galo Ramírez

Profesor Asociado

Química Inorgánica

Pontificia Universidad Catolica de Chile

Santiago, Chile

1
Stefan Vogt

Profesor Asistente

Fisicoquímica

Universidad de Concepción

Concepcion, Chile

1
Deodato Radic

Full professor

Quimica Fisica

Pontificia Universidad Católica de Chile

Santiago, Chile

1
MARIA DEL VALLE

Full professor

Quimica Inorganica

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

1
David Moreno

Académico - Investigador

Centro de Biología y Química Aplicada

Universidad Bernardo O'Higgins

Santiago, Chile

1
Javier Martínez

Postdoctorado FONDECYT

Departamento de Química Inorgánica

Pontificia Universidad Católica de Chile

Santiago, Chile

1
Cesar Saldias

Profesor Asistente

de Química Física

Pontificia Universidad Catolica de Chile

Santiago, Chile

1
Bárbara Herrera

Profesor Asociado

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

1
Pablo Richter

FACULTAD DE CIENCIAS QUÍMICAS Y FARMACÉUTICAS, UNIVERSIDAD DE CHILE

Santiago, Chile

1
Celso Quintero

Investigador

Proyectos con la Industria

Pontificia Universidad Católica de Chile

Santiago, Chile