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Miguel Angel Gaona Fernandez

Postdoctoral Fellow - Department of Chemistry
Image of Miguel Angel Gaona Fernandez
Room V236
Username
Visiting address Sem Sælands vei 26 Kjemibygningen 0371 Oslo
Postal address Postboks 1033 Blindern 0315 Oslo

Academic interests

I love researching reaction mechanisms and understanding the way molecules interact! I usually work with catalysis reactions, as it is by far the most interesting area of reactivity. In particular, activating small molecules, such as CO2 or N2: this is the path to sustainable chemistry!

I am learning how to use AI (machine learning, ML) to generate a chemical space where I can detect new transition metal complexes that could prove useful. I am working on my first bimetallic dataset, and after that I will improve the quality of the data, so that it can be used to feed better ML algorithms. Computational chemistry chemistry rocks!

You can see my profile in Res. Prof. David Balcell webpage, or you can visit my X Account.

Background

I obtained my Bachelor's Degree in Chemistry and my Master's Degree in Advanced Studies in Chemistry at the University of Seville, Spain, under the supervision of Prof. Agustín Galindo, working on the synthesis of copper and nickel complexes active in the oxidation of alcohols under standard conditions. Following this, I completed my Ph.D. at the University of Castilla-La Mancha, Spain, under the supervision of Prof. Agustín Lara and Prof. José Antonio Castro, earning a cum laude distinction for my work on the development of aluminum and zinc complexes for the synthesis of cyclic carbonates and polyethers using CO₂.


After a brief experience in industry, working for Eurotex (Viso del Alcor, Spain) and
Eurofins Villapharma (Murcia, Spain), I returned to academia with a postdoctoral
contract at the University of Zaragoza (Spain) in the group of Prof. Miguel Ángel
Esteruelas, where I worked on the development of iridium complexes for organic light-
emitting diodes. I was then awarded a Margarita Salas Fellowship to work in Dr. Jesús Campos' group, focusing on the synthesis of new Transition Metal-Only Frustrated Lewis Pairs and the mechanistic study of small molecule activation. Additionally, I recently completed a Master's Degree in Teacher Training for Secondary Education, Vocational Training, and Language Teaching.


Currently, with a DSTrain MSCA fellowship, I have joined the University of Oslo
to gain expertise in data science applied to chemistry and to work on my project
#CO2FLAMEL.

Positions held

  • 2023-24: Margarita Salas Postdoc (IIQ, CSIC, Spain) with Prof. Campos.
  • 2024-27: DSTrain COFUND MSCA Postdoc at the Hylleraas Centre for Quantum Molecular Sciences (UiO, Norway) with Res. Prof. Balcells.

Awards

  • Margarita Salas fellowship (2022)
  • DSTrain COFUND MSCA fellowship (2024)

 

Tags: Hylleraas, Theoretical chemistry, Reaction Mechanism, ORCA, transition metal complexes, Machine Learning

Publications

Gaona, M. A.; Montilla, F.; Álvarez, E.; Galindo, A. Synthesis, characterization and structure of nickel and copper compounds containing ligands derived from keto-enehydrazines and their catalytic application for aerobic oxidation of alcohols. Dalton Trans. 2015, 44, 6516.


De la Cruz-Martínez, F.; Martínez, J.; Gaona, M. A.; Fernández-Baza, J.; Sánchez-Barba, L. F.; Rodríguez, A. M.; Castro-Osma, J. A.; Otero, A.; Lara-Sánchez, A. Bifunctional Aluminum Catalysts for the Chemical Fixation of Carbon Dioxide into Cyclic Carbonates. ACS Sust. Chem. Eng. 2018, 6, 5322.


Gaona, M. A.; de la Cruz-Martínez, F.; Fernández-Baeza, J.; Sánchez-Barba, L. F.; Alonso-Moreno, C.; Rodríguez, A. M.; Rodríguez-Diéguez, A.; Castro-Osma, J. A.; Otero, A.; Lara-Sánchez, A. Influence of the Counterion on the Synthesis of Cyclic Carbonates Catalyzed by Bifunctional Aluminum Complexes. Dalton Trans. 2019, 48, 4218.


Martínez, J.; de la Cruz-Martínez, F.; Gaona, M. A.; Pinilla-Peñalver, E.; Fernández-Baeza, J.; Rodríguez, A. M.; Castro-Osma, J. A.; Otero, A.; Lara-Sánchez, A. Synthesis of helical aluminium catalysts for cyclic carbonate formation. Inorg. Chem. 2019, 58, 3396.


Gaona, M. A.; de la Cruz-Martínez, F.; Caballero, M. P.; Francés-Poveda, E.; Rodríguez, A. M.; Rodríguez-Diéguez, A.; North, M.; Castro-Osma, J. A.; Lara-Sánchez, A. Closing the loop in the synthesis of heteroscorpionate-based aluminium helicates: catalytic studies for cyclic carbonate synthesis. Dalton Trans. 2022, 51, 11302.


Babón, J. C.; Boudrealut, P-L. T.; Esteruelas, M. A.; Gaona, M. A.; Izquierdo, S.; Oliván, M.; Oñate, E.; Tsai, J-Y.; Vélez, A. Two Synthetic Tools to Deepen the Understanding of the Influence of Stereochemistry on the Properties of Iridium(III) Heteroleptic Emitters. Inorg. Chem. 2023, 62, 19821.


Alférez, M .G.; Moreno, J. J.; Gaona, M. A.; Maya, C.; Campos, J. Ligand Postsynthetic Functionalization with Fluorinated Boranes and Implications in Hydrogenation Catalysis. ACS Catal. 2023, 13, 16055.


de Sarasa-Buchaca, M. M.; Gaona, M. A.; Sánchez-Barba, L. F.; Garcés, A.; Rodríguez, A.; Rodríguez-Diéguez, A.; de la Cruz-Martínez, F.; Castro-Osma, J. A.; Lara-Sánchez, A. Zinc-Catalyzed Cyclization of Alkynyl Derivatives: Substrate Scope and Mechanistic Insights. Inorg. Chem. 2024, 63, 30, 13875.


Landrini, M.; Guzmán, J.; Hidalgo, N.; Gaona, M. A.; Moreno, J. J.; Campos, J. A Masked Low-Coordinate and Polarized Au(I)/Pt(0) Complex for Cooperative C─X and C─H Bond Activation of Pyridines. ChemistryEurope, 2026, 4, e202500376.

  • Buchaca, Marc Martínez de Sarasa; Fernandez, Miguel Angel Gaona; Sánchez-Barba, Luis F.; Garcés, Andrés; Rodríguez, Ana M. & Rodríguez-Diéguez, Antonio [Show all 9 contributors for this article] (2024). Zinc-Catalyzed Cyclization of Alkynyl Derivatives: Substrate Scope and Mechanistic Insights. Inorganic Chemistry. ISSN 0020-1669. 63(30), p. 13875–13885. doi: 10.1021/acs.inorgchem.4c00832. Full text in Research Archive
  • Alférez, Macarena G.; Moreno, Juan J.; Fernandez, Miguel Angel Gaona; Maya, Celia & Campos, Jesús (2023). Ligand Postsynthetic Functionalization with Fluorinated Boranes and Implications in Hydrogenation Catalysis. ACS Catalysis. 13(24), p. 16055–16066. doi: 10.1021/acscatal.3c02764. Full text in Research Archive
  • Babón, Juan C.; Boudreault, Pierre-Luc T.; Esteruelas, Miguel A.; Fernandez, Miguel Angel Gaona; Izquierdo, Susana & Oliván, Montserrat [Show all 9 contributors for this article] (2023). Two Synthetic Tools to Deepen the Understanding of the Influence of Stereochemistry on the Properties of Iridium(III) Heteroleptic Emitters. Inorganic Chemistry. ISSN 0020-1669. 62(49), p. 19821–19837. doi: 10.1021/acs.inorgchem.3c03133. Full text in Research Archive
  • Fernandez, Miguel Angel Gaona; Cruz-Martínez, Felipe de la; Caballero, María P.; Francés-Poveda, Enrique; Rodríguez, Ana M. & Rodríguez-Diéguez, Antonio [Show all 9 contributors for this article] (2022). Closing the loop in the synthesis of heteroscorpionate-based aluminium helicates: catalytic studies for cyclic carbonate synthesis. Dalton Transactions. ISSN 1477-9226. 51(30), p. 11302–11315. doi: 10.1039/d2dt01645a. Full text in Research Archive
  • Martínez, Javier; Cruz-Martínez, Felipe de la; Fernandez, Miguel Angel Gaona; Pinilla-Peñalver, Esther; Fernández-Baeza, Juan & Rodríguez, Ana M. [Show all 9 contributors for this article] (2019). Influence of the Counterion on the Synthesis of Cyclic Carbonates Catalyzed by Bifunctional Aluminum Complexes. Inorganic Chemistry. ISSN 0020-1669. 58(5), p. 3408–3408. doi: 10.1021/acs.inorgchem.8b03475. Full text in Research Archive
  • Cruz-Martínez, Felipe de la; Martínez, Javier; Fernandez, Miguel Angel Gaona; Fernández-Baeza, Juan; Sánchez-Barba, Luis F. & Rodríguez, Ana M. [Show all 9 contributors for this article] (2018). Bifunctional Aluminum Catalysts for the Chemical Fixation of Carbon Dioxide into Cyclic Carbonates. ACS Sustainable Chemistry and Engineering. 6(4), p. 5322–5332. doi: 10.1021/acssuschemeng.8b00102. Full text in Research Archive

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Published Nov. 27, 2024 9:19 AM - Last modified Jan. 28, 2026 1:38 PM