Photo of Enrique Manuel Arpa Gonzalez

Enrique Manuel Arpa Gonzalez

I am a postdoc researcher in Theoretical Chemistry, devoted to the field of computational photochemistry, that is now working with Prof. Bo Durbeej in the design of new molecular energy storage devices by (TD-)DFT and multiconfigurational approaches.

Presentation

I started my research career as a pure synthetic organic chemist, developing new catalytic approaches for the 1,3-dipolar cycloaddition, and I finished my Master’s Degree in Organic Chemistry in July 2014. After a while I changed completely the academic course I was following, and I moved to Theoretical Chemistry, where I finished my PhD in December 2020, under the supervision of Dr. Inés Corral.

My thesis dealt with the photophysics and photochemistry of two kinds of molecules upon UV irradiation: canonical nucleobase derivatives and unconjugated pterins. These studies allowed us to elucidate the molecular origins of life on prebiotic Earth and the photochemical evolution of some skin diseases like vitiligo.

Right after the thesis, giving that I became really interested in the computational modelling of photochemical processes, I moved to LiU in February 2021, to the group of Prof. Bo Durbeej, where we are working to design new MOST (MOlecular Solar Thermal-energy storage) molecules.

Publications

2023

Enrique Manuel Arpa Gonzalez, Bo Durbeej (2023) HOMER: a reparameterization of the harmonic oscillator model of aromaticity (HOMA) for excited states Physical Chemistry, Chemical Physics - PCCP, Vol. 25, p. 16763-16771 Continue to DOI
Enrique Manuel Arpa Gonzalez, Ines Corral (2023) Unveiling Photodegradation and Photosensitization Mechanisms of Unconjugated Pterins Chemistry - A European Journal Continue to DOI
Enrique Manuel Arpa Gonzalez, Ines Corral (2023) Unveiling Photodegradation and Photosensitization Mechanisms of Unconjugated Pterins Chemistry - A European Journal, Vol. 29, Article e202300519 Continue to DOI
Enrique Manuel Arpa González, Bo Durbeej (2023) In Silico Design of Dihydroazulene/Vinylheptafulvene Photoswitches for Solar-Energy Storage Guided by an All-Around Performance Descriptor Chemistry−Methods, Vol. 3, Article e202200060 Continue to DOI

2022

Javier Corpas, Enrique Manuel Arpa González, Romain Lapierre, Ines Corral, Pablo Mauleon, Ramon Gomez Arrayas, Juan C. Carretero (2022) Interplay between the Directing Group and Multifunctional Acetate Ligand in Pd-Catalyzed anti-Acetoxylation of Unsymmetrical Dialkyl-Substituted Alkynes ACS Catalysis, Vol. 12, p. 6596-6605 Continue to DOI

Research

Organisation