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Ximena del Pilar Zarate Bonilla

Associate Profesor

Universidad Autónoma de Chile

Santiago, Chile

Líneas de Investigación


1. Structure and Physicochemical properties of dyes for dyes sensitized solar cells. 2. Applications of Quantum Mechanics approaches. 3. Mechanisms of chemical reactions. 4. Chemical reactivity.

Educación

  •  Químico, Universidad Industrial de Santander. Colombia, 2008
  •  Doctor en Fisicoquímica Molecular, Universidad Andres Bello. Chile, 2012

Experiencia Académica

  •   Associate investigator Part Time

    Universidad Bernardo O´Higgins

    Santiago, Chile

    2013 - 2014

  •   Head of Department Full Time

    Universidad Bernardo O´Higgins

    Salud, Deporte y Recreación

    Santiago, Chile

    2014 - 2014

  •   Associate investigator Full Time

    UNIVERSIDAD AUTONOMA DE CHILE

    Ingeniería

    Santiago, Chile

    2015 - A la fecha

Experiencia Profesional

  •   Associate Professor Part Time

    Universidad Bernando O'Higgins

    Chile

    2014 - 2015

  •   Head of Department Full Time

    Universidad Bernando O'Higgins

    Chile

    2014 - 2015

  •   Associate Professor Full Time

    Universidad Autónoma de Chile

    Santiago, Chile

    2015 - A la fecha

Formación de Capital Humano


Currently, I am co-directing:
Ph.D. tesis in the Molecular Physical Chemistry Ph.D Program, of Manuel Treto Suárez and Yoan Hidalgo, from Universidad Andres Bello (Santiago, Chile).
Ph.D tesis in the Science Ph.D Program with mention in Cheistry, of Felipe Toledo from Universidad de Concepción (Concepción, Chile).
Bachelor of Science in Chemistry of Valeria Ruiz and Vanesa Roa.


Premios y Distinciones

  •   Summa Cum Laude

    UNIVERSIDAD ANDRES BELLO

    Chile, 2012

    Best qualification in the thesis

  •   Best Poster

    UNIVERSIDAD ANDRES BELLO

    Chile, 2010

    Best Poster in the 7th Workshop of Computational Chemistry and Molecular Spectroscopy, Punta de Tralca.


 

Article (60)

Novel and Convenient Synthesis of 2,7-Dialkyl-1,8-dihydro- as -indacenes
Singlet oxygen photogeneration by ethanolic extract of Syzygium cumini fruits: Theoretical elucidation through excited states computations
Understanding the aromaticity of C6X6 (X = H, F, Cl, Br, I). Insights from different theoretical criteria
Bipodal dyes with bichromic triphenylamine architectures for use in dye-sensitized solar cell applications
Boron Nanowheels with Axles Containing Noble Gas Atoms: Viable Noble Gas Bound M (c) B-10(-) Clusters (M=Nb, Ta)
Comparative study of the anchorage and the catalytic properties of nanoporous TiO2 films modified with ruthenium (II) and rhenium (I) carbonyl complexes
Energy conversion process of substituted phthalocyanines with potential application to DSSC: a theoretical study
Exploring the relevance of thiophene rings as bridge unit in acceptor-bridge-donor dyes on self-aggregation and performance in DSSCs
Improvement of the photocatalytic activity of TiO2 using Colombian Caribbean species (Syzygium cumini) as natural sensitizers: Experimental and theoretical studies
Noble gas encapsulated B-40 cage
Photocatalytic degradation of methylene blue by the Anderson-type polyoxomolybdates/TiO2 thin films
Photophysical behaviour of BODIPY-phenylacetylene macrocyclic dyads for light-harvesting applications
Stable NCNgNSi (Ng= Kr, Xe, Rn) Compounds with Covalently Bound C-Ng-N Unit: Possible Isomerization of NCNSi through the Release of the Noble Gas Atom
Synthesis of Au Nanoparticles Assisted by Linker-Modified TiO2 Nanoparticles
Tuning the molecular/electronic structure of new substituted pyrazoles: Synthesis, biological trials, theoretical approaches and Hammett correlations
DFT studies on coordination models for adsorption essays of Cu(II) and Ni(II) solutions in modified silica gel with iminodiacetic groups
Electrochemical and theoretical characterization of the electro-oxidation of dimethoxycurcumin
Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes
Revisiting the racemization mechanism of helicenes
Simulation of natural dyes adsorbed on TiO2 for photovoltaic applications
Study of the Molecular Properties of Mono and Binuclear Metal s-Indacenyl Complexes with Ir, Rh and Re=> A Theoretical Approach
Synthesis, characterization, spectroscopic properties and DFT study of a new pyridazinone family
Three-component one-pot synthesis of novel pyrido[2,3-d]pyrimidine indole substituted derivatives and DFT analysis.
A family of substituted hydrazonisoxazolones with potential biogical properties.
A silver coordination cage assembled from [Ag2 (bis (isoxazolyl))3]=> DFT approach to the binding forces within the host–guest interactions
Effects of the Acceptor Unit in Dyes with Acceptor-Bridge-Donor Architecture in the Electron Photo-Injection Mechanism and Aggregation in DSSCs
Interaction of chalcones with CT-DNA by spectrophotometric analysis and theoretical simulations.
The nature of the donor motif in acceptor-bridge-donor dyes as influence in teh electron photoinjection mechanism in DSSCs.
Theoretical study of aromatic-antiaromatic pairs as material in organic solar cells of double light harvesting
A theoretical study of substituted Indeno[1,2-b]fluorene compounds and their possible applications in solar cells
Effect of triphenylamine as electron-donor evenly spaced in 2, 4, 6 and 8 thiophene units of the main chain: synthesis and properties
Experimental and Theoretical Studies of the ancillary ligand (E)-2-((3-amino-pyridin-4-ylimino)-methyl)-4,6-diterbutylphenol in Rhenium(I) core
Imaging the ultrafast photoelectron transfer process in alizarin-TiO2
New 3,4,5-Trisubstituted Isoxazoles Derivatives with potential biological properties
Novel (E)-1-(pyrrole-2-yl)-3-(aryl)-2-(propen-1-one) derivatives as efficient singlet oxygen quenchers: Kinetics and quantum chemical calculations.
Photophysics of Tungsten-Benzylidyne complexes derived from s-indacene: Synthesis, Characterization and DFT Studies
Substituted phenylhydrazono derivatives of curcumin as new ligands, a theoretical study
Charge transport modeling in bisphenazine derivative dimers as discotic liquid crystals: a TDDFT study
Intramolecular and Lateral Intermolecular Hole Transfer at the Sensitized TiO2 Interface.
Novel mono- and heterobimetallic chromium-nickel s-indacene complexes: synthesis, characterization, and DFT studies
Role of the main adsorption modes in the interaction of the dye [COOH-TPP-Zn(II)] on a periodic TiO2 slab exposing a rutile (110) surface in a dye-sentized solar cell
Synthesis, characterization and computational studies of (e)-2-{[(2-aminopyridin-3-yl)imino]-methyl}- 4,6-di-tert-butylphenol
Synthesis, characterization and DFT study of a new family of pyrazole derivatives
A family of octahedral molybdenum cluster complexes [Mo6Cl8(H2O)n(OH)6-n]n-2 with n = 0-6 as a pH-sensors: A theoretical study
A molecular study of tetrakis(p-methoxyphenyl)porphyrin and its Zn(II) complex as discotic liquid crystals
A Theoretical Study of Sensitizer Candidates for Dye-Sensitized Solar Cells: Peripheral Substituted Di-Zn-Pyrazinoporphyrazine-Phthalocyanine complexes
Effect over the electronic structure by changing the core metals from Mo to W in a family of [Mo6-nWnCl8F6](2-) (n=0-6) clusters
Effects of the peripheral substituents (–NH2, –OH, –CH3, –H, –C6H5, –Cl, –CO2H and –NO2) on molecular properties of a Ni-Porphyrazine dimers family
Molecular properties of two related families of substituted [Ru(2,2 ':6 ',2 ''-Terpyridine)(2)](2+) for application as sensitizers in dye-sensitized solar cells
Substituents effect on the electronic structure and molecular properties of bis[organohydrazido(2-)] Molybdenum(VI) Complexes
Electronic structure and molecular properties of paramagnetic hexanuclear Tantalum [Ta6X12Y6](3-) (X and Y = F, Cl, Br, I) cluster compounds
Photophysical properties of [Cu(binap)(2)](+) and [Pd(binap)(2)] complexes: A theoretical study
Quantum Dynamical Simulations as a Tool for Predicting Photoinjection Mechanisms in Dye-Sensitized TiO2 Solar Cells
Substituents Effects on Two Related Families of Dyes for Dye Sensitized Solar Cells: [Ru(4,4 '-R,R-2,2 '-bpy)(3)](2+) and [Ru(4,4 '-COOH-2,2 '-bpy)(4,4 '-R,R-2,2 '-bpy)(2)](2+)
The aromaticity of the [Re3(u-X)3X9]3- clusters, X = Cl, Br, I
A DFT/TDDFT Study of Porphyrazines and Phthalocyanine Oxo-Titanium Derivatives as Potential Dyes in Solar Cells
ADSORPTION ESSAYS OF PALLADIUM IN MODIFIED SILICA GEL WITH THIOURONIUM GROUPS: EXPERIMENTAL AND THEORETICAL STUDIES
Relativistic scalar and spin-orbit density functional calculations of the electronic structure, NICS index and ELF function of the [Re-2(CO)(8)(mu-BiPh)(2)] and [Re-2(CO)(8)(mu-BiPh2)(2)] clusters
DFT study on the electronic structure, energetics and spectral properties of several bis(organohydrazido(2-)) molybdenum complexes containing substituted phosphines and chloro atoms as ancillary ligands
Hydrogen Bonds C-H•••O in Superoxide Anion Radical-1,4-Pentadiene Complexes

Proyecto (10)

Luminescent chemical sensors for hazardous species detection: elucidation of the sensing mechanisms and selectivity by means of theoretical approaches.
Millenium nuclei on catalytic processes towards sustainable chemistry
Design and synthesis of flexible linkers for the generation of new metal-organic frameworks.
Design, obtention and molecular modelling of clean energy generation devices. A structural, photochemical and catalytic approach.
The role of dyes with acceptor-bridge-donor architecture in the DSSC photo-injection mechanism, dye structure vs photo-injection mechanism relationship. 2014-2016.
Synthesis of Homo Binuclear Frameworks as Templates for the Reduction of CO2.
Synthesis, characterization and theoretical study of Curcumin derivatives, candidates as new biological active compounds.
Estudio DFT/TD-DFT de la estructura electrónica y propiedades moleculares de sistemas macrocíclicos constituidos por metaloporfirazinas
Millennium Nucleus Molecular Engineering and Supramolecular Chemistry for Catalysis, Electrocatalysis, Remediation and Energy Conversion
Relativistic electronic structure calculations on the bonding, optical and magnetic properties of inorganic molecular precursors.
36
Ximena Zarate

Associate Profesor

Instituto de Ciencias Químicas Aplicadas

Universidad Autónoma de Chile

Santiago, Chile

22
Eduardo Schott

Profesor Asociado

Departamento de Química Inorgánica

Pontificia Universidad Católica de Chile

Santiago, Chile

7
Ramiro Arratia

DIRECTOR DOCTORADO

CIENCIAS QUIMICAS

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

3
Desmond MacLeod-Carey

Associate Professor

Facultad de Ingeniería

Universidad Autónoma de Chile

Santiago, Chile

2
Alexander Carreño

Profesor asistente

Center of Applied Nanoscience

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

2
Alexander Carreño

Profesor asistente

Doctorado en Fisico Química Molecular

Universidad Andrés Bello

Santiago, Chile

1
Francisco Castillo

Instructor Adjunto

Química Orgánica

Pontificia Universidad Católica de Chile

Santiago, Chile

1
Diego Oyarzún

Profesor/Investigador

Universidad Andrés Bello

Chile

1
Marcelo Preite

Associate Professor

Organic Chemistry

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

1
Lorena Norambuena

Full Professor

Biology

UNIVERSIDAD DE CHILE

Santiago, Chile

1
César Zúñiga

Profesor Investigador

Instituto de Ciencias Naturales

Universidad de Las Américas

Santiago, Chile

1
Ignacio Moreno

Full Professor

Facultad de Ciencias

Universidad Austral de Chile

Valdivia, Chile

1
Tatiana Gómez

Assistant Proffesor

Engineering

UNIVERSIDAD AUTÓNOMA DE CHILE

SANTIAGO, Chile

1
Rodrigo Ramírez

Consultor

Asesorias CUBO

Santiago, Chile

1
Cesar Morales

Associate Professor

Universidad Bernardo O'Higgins

Santiago, Chile

1
Rudy Martín

Post-Doc

Química Orgánica

Pontificia Universidad Católica de Chile

Santiago, Chile

1
Gabriel Vallejos

Académico

UNIVERSIDAD ASUTRAL DE CHILE

Valdivia, Chile

1
sebastian correa

Académico

Ciencias Químico Biológicas

Universidad Bernardo O'Higgins

Santiago, Chile