Man

Dayán Páez Hernández

Profesor Asociado

Universidad Andrés Bello

Santiago, Chile

Líneas de Investigación


1. Structure and Physicochemical properties of lanthanide and actinide compounds. 2. Applications of Relativistic Quantum Mechanics and post-Hartree-Fock based methods. 3. Molecular spectroscopy

Educación

  •  Molecular Physical Chemistry, Universidad Andrés Bello. Chile, 2012
  •  Radiochemist, Instituto Superior de Ciencias y Tecnologías Aplicadas (InSTEC). Cuba, 2009

Experiencia Académica

  •   Profesor Ayudante Other

    Instituto Superior de Ciencias y Tecnologías Aplicadas (INSTEC)

    Facultad de Ciencias Nucleares

    La Habana, Cuba

    2007 - 2009

  •   Profesor Ayudante Other

    Universidad Andrés Bello

    Ciencias Exactas

    Santiago, Chile

    2009 - 2012

  •   Profesor Asistente Full Time

    Universidad Andrés Bello

    Ciencias Exactas

    Santiago, Chile

    2013 - 2018

  •   Profesor Ayudante Other

    Université Toulouse III Paul Sabatier

    Laboratoire de Chimie et de Physique Quantiques

    Toulouse, Francia

    2012 - 2013

  •   Profesor Asociado Full Time

    Universidad Andrés Bello

    Facultad de Ciencias Exactas

    Santiago, Chile

    2018 - A la fecha

  •   Secretario Académico Programa de Doctorado en Fisicoquímica molecular Full Time

    Universidad Andrés Bello

    Ciencias Exactas

    Chile

    2020 - A la fecha

Experiencia Profesional

  •   Profesor Asistente Full Time

    Universidad Andrés Bello

    Santiago, Chile

    2013 - A la fecha

  •   Postdoctoral position Full Time

    Université Toulouse III Paul Sabatier

    Toulouse, Francia

    2012 - 2013

  •   Profesor Asociado Full Time

    Universidad Andrés Bello

    Santiago, Chile

    2018 - A la fecha

Formación de Capital Humano


Tesis de Pregrado 2

Tesis Doctorales

Estudiante Graduados 5

Dr. Nicolás Montenegro Pohlhammer: "Propiedades Magnéticas en compuestos de coordinación con potenciales aplicaciones en espintrónica y electrónica Molecular. Un estudio teórico. "

Dr. Eduardo Solis Céspedes: "Theoretical Study of magnetic anisotropy in mono and polynuclear lanthanide complexes."

Dr Cristian Celis Barros (Mejor tesis doctoral UNAB 2018): "Chemical Properties of heavy actinides and their analog lanthanide."

Dr María Joaquina Beltrán Leiva: "Determinación de propiedades luminiscentes en sistemas f con métodos de la Mecánica Cuántica Relativista."

Dr David Arias Olivares: "Development of computational tools for exploring the potential energy surface using information from topological analysis of the electron density and derived functions. "

Candidatos a Doctor 8

Dr(C) Yunier Perera Sardiña: "Diseño in-silico de nuevos inhibidores selectivos de alfa-anihidrasa carbónica humana integrando metodologías de modelado molecular y mecánica cuántica. "

Dr(C) Manuel Alejandro Treto Suarez: "Estudio de los mecanismos de activación dela luminiscencia y su relación con la estructura molecular en sensores químicos de especies metálicas. "

Dr(C) Yoan Hidalgo Rosa: "Empleo de herramientas computacionales para el estudio teórico de las propiedades fotofísicas de sensores químicos luminiscentes basados en Estructuras Metal-Orgánicas (MOFs). "

Dr (C) Lily Arrue Ayala: "Diseño, síntesis y caracterización de complejos de tierras raras para posible aplicación en terapia fotodinámica. Estudio teórico y experimental."

Dr (C )Zoraida Sandoval: "Estudio teórico del acoplamiento entre espines en sistemas bimetálicos soportados por una interacción metalofílica. "

Dr(C) Julian Santoyo Flores: "Study of the energy transfer pathways in lanthanide complexes using bio-inspired ligands as molecular antennas. "

Dr (C) Lisan David Cabrera: "Study of molecular collision crucial for a correct interpretation of interstellar observations"

Dr (C) Rosaly Morales guevara: "Diseño racional de complejos de Renio (I) en miras de nuevos biomarcadores para celulas con pared"

Postdoctorados 1

Dr. Plinio Cantero López


Difusión y Transferencia


Participación en cuatro proyectos de Proyección al Medio Externo (PME) dentro de la Iniciativa Científica Milenio.


Premios y Distinciones

  •   Alumni

    Universidad Andrés Bello

    Chile, 2014

    Mejor graduado Doctorado en Fisicoquímica Molecular

  •   Investigador Joven Destacado

    Universidad Andrés Bello

    Chile, 2018

    Uno de los tres investigadores menores de 40 años con mayor productividad en la Universidad Andrés Bello

  •   Distinción por contribución a la investigación disciplinar en el área de Química Universidad Andrés Bello

    UNIVERSIDAD ANDRES BELLO

    Chile, 2019

    La Universidad Andrés Bello a través de la Vicerrectoría de Investigación y Doctorados confiere esta distinción a Investigadores cuya productivas ha sido relevante en el año 2019.


 

Article (55)

Insights into the role of D-A-pi-A type pro-aromatic organic dyes with thieno[3,4-b]pyrazine as A acceptor group into dye-sensitized solar-cells. A TD-DFT/periodic DFT study
Radiative decay channel assessment to understand the sensing mechanism of a fluorescent turn-on Al3+ chemosensor
Theoretical examination of covalency in berkelium(IV) carbonate complexes
Classical and Quantum Mechanical Calculations of the Stacking Interaction of Nd-III Complexes with Regular and Mismatched DNA Sequences
Classical and Quantum Mechanical Calculations of the Stacking Interaction of NdIII Complexes with Regular and Mismatched DNA Sequences
Cyclic voltammetry, relativistic DFT calculations and biological test of cytotoxicity in walled-cell models of two classical rhenium (I) tricarbonyl complexes with 5-amine-1,10-phenanthroline
Electronic, Magnetic, and Theoretical Characterization of (NH4)(4)UF8, a Simple Molecular Uranium(IV) Fluoride
Luminescent europium(iii) and terbium(iii) complexes of beta-diketonate and substituted terpyridine ligands: synthesis, crystal structures and elucidation of energy transfer pathways
Molecular and Electronic Structure, and Hydrolytic Reactivity of a Samarium(II) Crown Ether Complex
Novel fluorescent Schiff bases as Al3+ sensors with high selectivity and sensitivity, and their bioimaging applications
Prototypical cis-ruthenium(II) complexes present differential fluorescent staining in walled-cell models (yeasts)
Quantum chemical elucidation of the turn-on luminescence mechanism in two new Schiff bases as selective chemosensors of Zn2+: synthesis, theory and bioimaging applications
Spin-filter transport and magnetic properties in a binuclear Cu(ii) expanded porphyrin based molecular junction
Structure, Spectroscopy, and Theoretical Analysis of Zero- and Three-Dimensional Lithium Plutonium Fluorides: Li4PuF8 and LiPuF5
Understanding the Selective-Sensing Mechanism of Al3+ Cation by a Chemical Sensor Based on Schiff Base: A Theoretical Approach
A theoretical study of the super exchange mechanism and magneto-structural relationships in the [Mn(iii)(2)(-F)F-4(Me(3)tacn)(2)](PF6) coordination compound
Ab initio calculations of heavy-actinide hexahalide compounds: do these heavy actinides behave like their isoelectronic lanthanide analogues?
Electrochemical behaviors and relativistic DFT calculations to understand the terminal ligand influence on the [Re-6(mu(3)-Q)(8)X-6](4-) clusters
New Properties of a Bioinspired Pyridine Benzimidazole Compound as a Novel Differential Staining Agent for Endoplasmic Reticulum and Golgi Apparatus in Fluorescence Live Cell Imaging
Rare-Earth Metal(II) Aryloxides: Structure, Synthesis, and EPR Spectroscopy of [K(2.2.2-cryptand)][Sc(OC6H2tBu2-2,6-Me-4)3]
Study of the structure-bioactivity relationship of three new pyridine Schiff bases: synthesis, spectral characterization, DFT calculations and biological assays
The role of Cr, Mo and W in the electronic delocalization and the metal-ring interaction in metallocene complexes
Theoretical Determination of Energy Transfer Processes and Influence of Symmetry in Lanthanide(III) Complexes: Methodological Considerations
Theoretical insight into the superexchange mechanism of coupling in &ITf&IT1 - &ITf&IT1 system. The case of study Ce-2(COT)(3) compound
Three new types of transition metal carboranylamidinate complexes
Tuning the molecular antenna effect using donor and acceptor substituents on the optical properties of the [(C5F5)(2)ThMCp2](2+) and [(C5F5)(2)ThMCpL2](+) complexes, where M = Fe, Ru and Os and L = CO and C5H5N
Two New Fluorinated Phenol Derivatives Pyridine Schiff Bases: Synthesis, Spectral, Theoretical Characterization, Inclusion in Epichlorohydrin-beta-Cyclodextrin Polymer, and Antifungal Effect
Bonding in gold-rare earth [Au2M] (M = Eu, Yb, Lu) ions. A strong covalent gold- lanthanide bond
Coinage Metal Superatomic Cores: Insights into Their Intrinsic Stability and Optical Properties from Relativistic DFT Calculations
Electronic structure and optical properties calculation of Zn-porphyrin with N-annulated perylene adsorbed on TiO2 model for dye-sensitized solar cell applications: A DFT/TD-DFT study
Electronic Structure and Properties of Berkelium Iodates
Exploring the geometrical and optical properties of neutral rhenium (I) tricarbonyl complex of 1,10-phenanthroline-5,6-diol using relativistic methods
Modeling the electronic states and magnetic properties derived from the f(1) configuration in lanthanocene and actinocene compounds
Spin-orbit effect into isomerization barrier of small gold Clusters. O-h <-> D-2h Fluxionality of the Au-6(2+) cluster Investigated by relativistic methods
The origin of phosphorescence in Iridium (III) complexes. The role of relativistic effects
Theoretical and experimental approach on the molecular interactions of the DL-Alanine with an electrolytic environment
Theoretical Method for an Accurate Elucidation of Energy Transfer Pathways in Europium(III) Complexes with Dipyridophenazine (dppz) Ligand: One More Step in the Study of the Molecular Antenna Effect
Effect of the crystal environment on the optical and magnetic properties of Nd3+ and U3+ ions
Fluorescence probes for both prokaryotic and eukaryotic cells using new Rhenium (I) tricarbonyl complexes with an electron withdrawing ancillary ligand
Theoretical and experimental characterization of a novel pyridine benzimidazole=> Suitability for fluorescence staining in cells and antimicrobial properties.
Aromatic Lateral Substituents Influence the Excitation Energies of Hexaaza Lanthanide Macrocyclic Complexes: A Wave Function Theory and Density Functional Study
Exploring the nature of the excitation energies in [Re-6(mu(3)-Q(8))X-6](4-) clusters: a relativistic approach
Spectral, theoretical characterization and antifungal properties of two phenol derivative Schiff bases with an intramolecular hydrogen bond
The role of the [CpM(CO)(2)](-) chromophore in the optical properties of the [Cp2ThMCp(CO)(2)](+) complexes, where M = Fe, Ru and Os. A theoretical view
Covalent lanthanide(III) macrocyclic complexes: the bonding nature and optical properties of a promising single antenna molecule
Magnetic properties and electronic structure of neptunyl (VI), neptunyl (VI)-tris-nitrate, and neptunyl (VI)-tetrachloride.
Magnetic properties of a fourfold degenerate state=> Np4+ ion diluted in Cs2ZrCl6 crystal
Predicting the electronic structure and magnetic properties of UO2+, UO2(CO)(5)(+) and UO2(Ar)(5)(+) using wavefunction based methods
Understanding the Influence of Terminal Ligands on the Electronic Structure and Bonding Nature in [Re-6(mu(3)-Q(8))](2+) Clusters
Antenna Effect by Organometallic Chromophores in Bimetallic d-f Complexes
Aromaticity, Optical Properties and Zero Field Splitting of Homo- and Hetero-bimetallic (C8H8)M(mu(2)-,eta(8)=C8H8)M(C8H8) where M = Ti, Zr, Th Complexes
Charge transfer effects on the paramagnetic properties of the [M(C8H8)(2)] and M(C5H5)(C8H8); M = Ti, Zr, Hf and Th, complexes
Optical and Magnetic Properties of the Complex Bis(dicyclooctatetraenyl)diuranium. A Theoretical View
Bonding Nature and Electron Delocalization of An(COT)(2), An = Th, Pa, U
Quantum relativistic investigation about the coordination and bonding effects of different ligands on uranyl complexes

Review (2)

Advances in bonding and properties of inorganic systems from relativistic calculations in Latin America
Rhenium Hexanuclear Clusters: Bonding, Spectroscopy, and Applications of Molecular Chevrel Phases
53
Dayán Páez

Profesor Asociado

Facultad de Ciencias Exactas

Universidad Andrés Bello

Santiago, Chile

26
Ramiro Arratia

DIRECTOR DOCTORADO

CIENCIAS QUIMICAS

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

9
Alexander Carreño

Profesor asistente

Center of Applied Nanoscience

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

7
Manuel Gacitúa

Profesor asistente

Departamento de Química de los Materiales

Universidad de Santiago de Chile

Santiago, Chile

6
Juan Fuentes

Académico

Ciencias Biológicas

Universidad Andrés Bello

Santiago, Chile

6
Alexander Carreño

Profesor asistente

Doctorado en Fisico Química Molecular

Universidad Andrés Bello

Santiago, Chile

6
Plinio Cantero

Profesor Adjunto

Química

Universidad Andrés Bello

Santiago de Chile, Chile

5
Juliana Murillo

Profesora part-time

de Ciencias Químicas

Universidad Andrés Bello

Concepción, Chile

5
Eduardo Schott

Profesor Asociado

Departamento de Química Inorgánica

Pontificia Universidad Católica de Chile

Santiago, Chile

4
Manuel Treto

Académico

Departamento de Física y Química

Universidad Autónoma de Chile

Temuco, Chile

3
César Zúñiga

Profesor Investigador

Instituto de Ciencias Naturales

Universidad de Las Américas

Santiago, Chile

3
Nicolas Montenegro

Post Doc

Facultad de Farmacia

Universidad de Sevilla

Sevilla, España

2
Marcelo Preite

Associate Professor

Organic Chemistry

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

2
Maria Otero

Profesor Asociado

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

2
Yoan Hidalgo

Postdoctoral researcher

Researcher Line 3

Universidad de Chile-Solar Energy Research Center CONICYT/FONDAP/15110019

Santiago de chile, Chile

1
Jans Alzate

Associate Professor

Departamento de Bioinformática

UNIVERSIDAD DE TALCA

Talca, Chile

1
Rafael Islas

Profesor

Departamento de Ciencias Química

Universidad Andrés Bello

Santiago, Chile

1
Rubén Polanco

Associate Professor

Biological Sciences

UNIVERSIDAD ANDRÉS BELLO (UNAB)

SANTIAGO, Chile

1
Raúl Guajardo

Estudiante de Doctorado

UNIVERSIDAD ANDRES BELLO

Chile

1
Rudy Martín

Post-Doc

Química Orgánica

Pontificia Universidad Católica de Chile

Santiago, Chile

1
NELSON ARIAS

Investigador Fondecyt

Ciencias Químicas

Universidad Andrés Bello

Santiago, Chile

1
osvaldo yañez

Post Doctorado

Departamento de Ciencias y Tecnología Farmacéutica

Universidad de Chile

Santiago, Chile

1
Katerine Paredes

Profesora Asistente

Quimica

Univesidad Tecnólogica Metropolitana

santiago, Chile

1
Guido Mora

Académico/Investigador

Facultad Ciencias de la Salud

Universidad SEK

Santiago, Chile

1
Desmond MacLeod-Carey

Associate Professor

Facultad de Ingeniería

Universidad Autónoma de Chile

Santiago, Chile

1
Rodrigo Ramírez

Consultor

Asesorias CUBO

Santiago, Chile

1
Alvaro Muñoz

Full time professor

Dirección de Investigación y Postgrado

Universidad Autónoma de Chile

Santiago, Chile

1
Alvaro Muñoz

UNIVERSIDAD ANDRES BELLO

Santiago, Chile