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Dr. Daniel Aravena
Mosaico con resultados de diferentes estudios magnéticos y ópticos realizados recientemente en nuestro grupo.
Profesor Asistente en la Universidad de Santiago de Chile. Nació en 1985 en Linares, Chile y se tituló de Químico en la Universidad de Chile en el año 2009. Posteriormente, obtuvo los títulos de Máster y Doctor en Química por la Universidad de Barcelona (España) en el año 2011 y 2013, respectivamente. Su tesis doctoral se realizó bajo la supervisión del Prof. Eliseo Ruiz. Después de realizar un postdoctorado en el Max-Planck Institute for Chemical Energy Conversion (Mülheim an der Ruhr, Alemania, en el grupo de los Profesores Frank Neese y Mihail Atanasov), D.A. ingresó a la Universidad de Santiago de Chile (2015).
Linea de investigación centrada en el cálculo computacional de propiedades espectroscópicas y magnéticas de sistemas inorgánicos, tales como Imanes Unimoleculares, Redes Metal-orgánicas sensibles a moléculas huésped, dispositivos moleculares, complejos fotomagnéticos y de transición de espín. Durante su período de postdoctorado en Alemania, El Dr. Aravena contribuyó al programa de estructura electrónica “ORCA”.
En la actualidad, D.A. está involucrado en el desarrollo de nuevos modelos para simular procesos de relajación magnética en Imanes Unimoleculares y en la descripción de primeros principios de efectos de acoplamiento espín-órbita en la dinámica de estados excitados de complejos inorgánicos. Como complemento a los estudios teóricos, el grupo de investigación de D.A. trabaja en estrecha colaboración con grupos experimentales de la U. de Santiago de Chile y U. de Chile.
33.- Nuclearity Control for Efficient Thermally Activated Delayed Fluorescence in a CuI Complex and its Halogen-Bridged Dimer Sun C, Llanos L, Arce P, Oliver A, Wannemacher R, Cabanillas-Gonzalez J, Lemus L, Aravena D, Chem. Mater., 33, 6383–6393 (2021)
32.- Tuning single-molecule conductance by controlled electric field-induced trans-to-cis isomerization Quintans CS, Andrienko D, Domke KF, Aravena D, Koo S, Díez-Pérez I, Aragonès AC, Appl. Sci.-Basel, 11, 3317 (2021)
31.- Structure and Excited-State Dynamics of Dimeric Copper(I) photosensitizers Investigated by Time-resolved X-ray and Optical Transient Absorption Spectroscopy Velasco L, Llanos L, Levín P, Vega A, Yu J, Zhang X, Lemus L, Aravena D, Moonshiram D, Phys. Chem. Chem. Phys., 23, 3656-3667 (2021)
30. - Control of Magnetic Anisotropy by Macrocyclic Ligand Distortion in a Family of DyIII and ErIII Single Molecule Magnets Gil Y, Fuentealba P, Vega A, Spodine E, Aravena D, Dalton Trans., 49, 17709-17718 (2020)
29. - Reactivity of CuIN4 flattened complexes: interplay between coordination geometry and ligand flexibility Llanos L, Vera C, Vega A, Aravena D, Lemus L, Inorg. Chem., 59, 15061−15073 (2020)
28. – Tuning Single-Molecule Conductance in Metalloporphyrin-based Wires via Supramolecular Interactions Aragonès AC, Martín-Rodríguez A, Gonzalez-Campos A, Aravena D, Aliaga-Alcalde N, Ruiz E, Díez-Pérez I, Angew. Chem. Int. Ed., 59, 19193-19201 (2020)
27. – Spin Dynamics in Single-Molecule Magnets and Molecular Qubits Aravena D, Ruiz E, Dalton Trans. 49, 9916-9928 (2020)
26. - High Performance Single-Molecule Magnets, Orbach or Raman Relaxation Suppression? Castro-Alvarez A, Gil Y, Llanos L, Aravena D, Inorg. Chem. Front., 7, 2478 – 2486 (2020).
25. - Effect of Second-Sphere Interactions on the Magnetic Anisotropy of Lanthanide Single-Molecule Magnets: Electrostatic Interactions and Supramolecular Contacts; Gil Y, Llanos L, Cancino P, Fuentealba P, Vega A, Spodine E, Aravena D, J. Phys. Chem. C, 124, 5308-5320 (2020)
24. - Single-Molecule Transport of Fullerene-Based Curcuminoids; Dulic D, Rates A, Castro E, Labra-Muñoz J, Aravena D, Etcheverry-Berríos A, Riba-López D, Ruiz E, Aliaga-Alcalde N, Soler M, Echegoyen L, van der Zant H, J. Phys. Chem. C, 124, 2698−2704. (2020)
23. - [UF6]2–: A Molecular Hexafluorido Actinide(IV) Complex with Compensating Spin and Orbital Magnetic Moments; Pedersen KS, Meihaus KR, Rogalev A, Wilhelm F, Aravena D, Amoza M, Ruiz E, Long JR, Bendix J, Clérac R, Angew. Chem. Int. Ed., 131, 15797-15801 (2019)
22. - Relaxation Time Enhancement by Magnetic Dilution in Single-Molecule Magnets: an ab initio study; Llanos L, Aravena D, J. Magn. Magn. Mater., 489, 165456 (2019)
21. – Influence of the channel size of isostructural 3d-4f MOFs on the catalytic aerobic oxidation of cycloalkenes; Cancino P, Santibañez L, Stevens C, Fuentealba P, Audebrand N, Aravena D, Torres J, Martínez S, Kremer C, Spodine E, New J. Chem., 43, 11057--11064 (2019)
20. - Influence of the substituent on the phosphine ligand in novel rhenium (I) aldehydes. Synthesis, computational studies and first insights into antiproliferative activity; Muñoz-Osses M, Siegmundd D, Gómez A, Godoy F, Fierro A, Llanos L, Aravena D, Metzler-Nolte N, Dalton Trans. 47, 13861-13869 (2018)
19. - Ab Initio Prediction of Tunneling Relaxation Times and Effective Demagnetization Barriers in Kramers Lanthanide Single-Molecule Magnets; Aravena D, J. Phys. Chem. Lett. 9, 5327−5333 (2018)
18. - Steric and electronic factors affecting the conformation of bimetallic Cu(I) complexes. Effect of the aliphatic spacer of tetracoordinating Schiff base ligands; Díaz DE, Llanos L, Arce P, Lorca R, Guerrero J, Costamagna J, Aravena D, Ferraudi G, Oliver A, Lappin AG, Lemus L, Chem. Eur. J., 24, 52, 13839-13849 (2018)
17. – Solid state photoluminescence studies of [EuLnH2(NO3)3](H2O)x macrocyclic complexes with Schiff base ligands; de Santana RC, Fuentealba PA, Maia LJQ, Paredes-García V, Aravena D, Venegas-Yazigi D, Manzur J, Spodine E, J. Lumin., 203, 7-15 (2018)
16. - Effect of Heteroatoms on Field-Induced Slow Magnetic Relaxation of Mononuclear FeIII (S = 5/2) Ions within Polyoxometalates; Minato T, Aravena D, Ruiz E, Yamaguchi K, Mizuno N, Suzuki K, Inorg. Chem. 57, 12, 6957-6964 (2018)
15. - Designing a Dy2 Single-Molecule Magnet with Two Well-Differentiated Relaxation Processes by Using a Nonsymmetric Bisbidentate Bipyrimidine‑N‑Oxide Ligand: A Comparison with Mononuclear Counterparts; Díaz-Ortega IF, Herrera JM, Aravena D, Ruiz E, Gupta T, Rajaraman G, Nojiri H, Colacio E, Inorg. Chem. 57, 11, 6362-6375 (2018)
14. - Effect of Low Spin Excited States for Magnetic Anisotropy of Transition Metal Mononuclear Single Molecule Magnets; Llanos L, Aravena D, Inorganics 6, 24 (2018)
13. - Effect of the substituent of the cation of n-octylpyridinium hexafluorophosphate in the electrical and electrochemical response of carbon paste electrodes modified with these ionic liquids; Fuenzalida F, Aravena D, García C, Garcia M, Arce R, Ramirez G, Díaz C, Isaacs M, Arévalo MC, Aguirre MJ, Electrochimica Acta, 258, 959-969 (2017)
12. - Charge transport through a single molecule of trans-1-bis-diazofluorene [60]fullerene; Stefani D, Gutiérrez-Cerón CA, Aravena D, Labra-Muñoz J, Suarez C, Liu S, Soler M, Echegoyen L, van der Zant HSJ, Dulic D; Chem. Mater., 29, 7305–7312 (2017)
11. - Metal-Controlled Magnetoresistance at Room Temperature in Single-Molecule Devices; Aragones AC, Aravena D, Valverde-Muñoz FJ, Real JA, Sanz F, Díez-Pérez I, Ruiz E; J. Am. Chem. Soc., 139, 5768–5778 (2017)
10. - Models to Predict the Magnetic Properties of Single- and Multiple-Bridged Phosphate CuII Systems: A Theoretical DFT Insight; Muñoz-Becerra K, Aravena D, Ruiz E, Spodine E, Soto-Donoso N, Paredes-Garcia V, Venegas-Yazigi D; Inorg. Chem. Front., 4, 509-520 (2017)
9. - Influence of the Lanthanide (III) ion in {[Cu3Ln2(oda)6(H2O)6]·nH2O}n (LnIII: La,Gd,Yb) Catalysts on the Heterogeneous Oxidation of Olefins; Cancino P, Paredes-Garcia V, Aliaga C, Aguirre P, Aravena D, Spodine E; Catal. Sci. Technol., 7, 231–242 (2017)
8. - Lanthanide Tetrazolate Complexes Combining Single-Molecule Magnet and Luminescence Properties: The Effect of the Replacement of Tetrazolate N3 by b-Diketonate Ligands on the Anisotropy Energy Barrier; Jiménez JR, Díaz-Ortega IF, Ruiz E, Aravena D, Pope SJA, Colacio E, Herrera JM; Chem. Eur. J. 22, 14548-14559 (2016)
7. - DFT Approaches to Transport Calculations in Magnetic Single-Molecule Devices; Martín-Rodríguez A, Aravena D, Ruiz E; Theor. Chem. Acc 135: 192. (2016)
6. - A Low Spin Manganese(IV) Nitride Single Molecule Magnet; Ding M, Cutsail III GE, Aravena D, Amoza M, Rouzières M, Dechambenoit P, Losovyj Y, Pink M, Ruiz E, Clérac R, Smith JM; Chem Sci. 7, 6132–6140 (2016)
5. - Single Molecule Magnet Properties of Transition Metal Ions encapsulated in Lacunary Polyoxometalates: a Theoretical Study; Aravena D, Venegas-Yazigi D, Ruiz E; Inorg. Chem. 55, 6405–6413 (2016)
4. - Periodic Trends in Lanthanide Compounds through the Eyes of Multireference ab Initio Theory; Aravena D, Atanasov M, Neese F; Inorg. Chem. 55, 4457–4469 (2016)
3. - Exchange Interactions on the Highest-Spin Reported Molecule: the Mixed-Valence Fe42 Complex; Aravena D, Venegas-Yazigi D, Ruiz E; Sci. Rep. 6, 23847 (2016)
2. - Improved Segmented All-Electron Relativistically Contracted Basis Sets for the Lanthanides; Aravena D, Neese F, Pantazis D; J. Chem. Theory Comput. 12, 1148-1156 (2016)
1. - Large Conductance Switching in a Single-Molecule Device through Room Temperature Spin-dependent Transport; Aragones A, Aravena D, Cerda J, Acis-Castillo Z, Li H, Real JA, Sanz F, Hihath J, Ruiz E, Díez-Pérez I; Nano Lett. 16, 218–226 (2016)