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iqccudg.bsky.social
IQCC
@iqccudg.bsky.social
Institut de Química Computacional i Catàlisi (Inst. Comput. Chem. Catal.), research institute at University of Girona focusing on #PredictiveCatalysis and #ConfinedSpace
We are very happy to announce the Girona Seminar 2026 (13-16 April 2026), which will focus on synthesis and functionalization of cyclic compound.

We have a fantastic line-up of speakers confirmed and a wonderful venue in our beautiful city!

More info gironaseminar.org
November 12, 2025 at 1:35 PM
Cover @chemicalscience.rsc.org on "triplet–triplet annihilation photon upconversion via TIPS functionalization" by @carlesalcaide.bsky.social @miquelsola.bsky.social in collaboration with K. Moth-Poulsen

@univgirona.bsky.social @dimocat-iqcc.bsky.social #coverIQCC

www.udg.edu/ca/instituts...
November 7, 2025 at 9:41 AM
Summary of Thursday's #IQCCForumAutumn edition 2025

www.udg.edu/ca/instituts...
October 28, 2025 at 12:13 PM
Cover ACS Catalysis (@pubs.acs.org) on "Million-Fold Activation of C–H Bonds by Fluorinated Nonheme FeIV =O Complexes" by @marcelswart.bsky.social in collaboration with Prof. Larry Que @umnchemistry.bsky.social

@univgirona.bsky.social #TCBioSys #coverIQCC

www.udg.edu/ca/instituts...
October 23, 2025 at 8:58 AM
October 10, 2025 at 8:28 AM
Seven IQCC researchers have been included in Stanford University global list of 2% top scientists
@miquelsola.bsky.social Miquel Costas @marcelswart.bsky.social Albert Poater @silviaosuna.bsky.social Lluis Blancafort Jordi Mestres

#IQCCproud @univgirona.bsky.social

www.udg.edu/ca/instituts...
October 9, 2025 at 12:22 PM
October 7, 2025 at 9:29 AM
IQCC-@univgirona.bsky.social (Miquel Costas Xavi Ribas and Arnau Call) Leads Green Chemistry Breakthrough in BBVA Foundation’s Fundamentos Program

#IQCCproud @univgirona.bsky.social

www.udg.edu/ca/instituts...
October 2, 2025 at 11:31 AM
Come on 8th October to the #ScienceSlam IQCC to check out the research of the PIs

Place: PB4-Science Faculty @univgirona.bsky.social
Date: October 8th
Time: 12:30h

www.udg.edu/ca/instituts...
September 30, 2025 at 10:10 AM
Welcome Sergio Fernández, new Juan de la Cierva postdoc fellow at IQCC
@ageinves.bsky.social @univgirona.bsky.social #QBIScat_UdG

www.udg.edu/ca/instituts...
September 26, 2025 at 9:28 AM
September 25, 2025 at 7:54 AM
IQCC is participating in and organizing of the European Researchers' Night #NitRecerCat25 (project coordinated by
@silviasimonr.bsky.social) the with the aim to bring science closerto the #Girona general public

We look forward to seeing you!

#IQCCourteach @univgirona.bsky.social
September 25, 2025 at 7:52 AM
Welcome Hannes Meinert, new Postdoctoral Researcher at IQCC @univgirona.bsky.social

#InterUdG #UdGRecerca #TCBioSys

www.udg.edu/ca/instituts...
Instituts > Hannes Meinert, new Postdoctoral Researcher at IQCC
www.udg.edu
September 23, 2025 at 9:37 AM
Reposted by IQCC
The Plenary Talk of Miquel Costas @iqccudg.bsky.social @univgirona.bsky.social has started at @eicc2025.bsky.social
September 9, 2025 at 12:05 PM
Congratulations!
Jordi Soler wins RSEQ-GEQC Prize for best computational chemistry paper in 2024 @rseq-quimica.bsky.social

#IQCCproud @univgirona.bsky.social @dimocat-iqcc.bsky.social @marcgarciaborras.bsky.social

www.udg.edu/ca/instituts...
August 28, 2025 at 10:11 AM
Reposted by IQCC
July 29, 2025 at 3:39 PM
Reposted by IQCC
Check out our latest contribution in @jacs.acspublications.org, moved forward by Oscar Kelly

doi.org/10.1021/jacs...

With Brendan Twamley and @fenicu.bsky.social

Cc @iqccudg.bsky.social
Electrostatic Fields Induce Accelerated Proton Coupled Electron Transfer Rates in Chlorophyll Model Compounds
Chlorophyll-based pigments are crucial mediators of redox processes in photosynthesis, serving as the primary electron donors in photosystems I and II. Despite their structural similarities, these pigments exhibit a wide range of redox potentials (0.5–1.3 V vs SHE), and little experimental insight into the origins of this variation is available. To address this deficit, we have synthesized two crown ether-appended Mg-porphyrin complexes as chlorophyll model compounds and demonstrated their ability to bind redox-inactive metal cations. Cation binding to the Mg-porphyrin complexes was found to increase their redox potentials in a manner that depends linearly on the total cationic charge felt by the complex, implicating a through-space electrostatic field effect. The corresponding 1-electron oxidized π-cation radical complexes were then prepared and characterized by UV–vis, FT-IR, and EPR spectroscopies and ESI-MS. The π-cation radical species were found to be competent for the PCET oxidation of a phenolic substrate, mimicking the reaction between photo-oxidized chlorophyll and tyrosine in photosystem II. Cation binding to the π-cation radical complexes was found to increase the rates of their PCET and ET reactions in a charge-dependent manner which could be rationalized using Marcus theory. This work provides direct experimental evidence that electrostatic fields can tune the redox potentials of chlorophyll model compounds, leading to an increase in their oxidative reactivity.
doi.org
August 1, 2025 at 3:47 PM
PhD defense Adrià Juvanteny under supervision of Dr. Anna Company

Place: Aula Magna of the Faculty of Science@univgirona.bsky.social

Date: Sep 3rd
Time: 10 am
Jury: Prof. Marine Desage-El Murr, Prof. Connie C. Lu and Dr. Oriol Planas

www.udg.edu/ca/instituts...
August 27, 2025 at 9:42 AM
PhD defense Ricard López under supervision of @lledoagus.bsky.social

Place: Aula Magna of the @univgirona.bsky.social
Date: July 31
Time: 11 am

Jury: Gemma Aragay, Xavi Ribas and Agnieszka Szumna

@dimocat-iqcc.bsky.social

www.udg.edu/ca/instituts...
July 22, 2025 at 7:59 AM
PhD defense Daniel Bosch under supervision of Prof. Lluís Blancafort

Place: Aula Magna of the UdGCiencies @univgirona.bsky.social
Date: July 28th 2025
Time: 10:15 am
Jury: B Durbeej, M D’Abramo, M. Deumal

@udgdoctorat.bsky.social

www.udg.edu/ca/instituts...
July 21, 2025 at 7:24 AM
Congratulations! Aqza Elza John wins Best Presentation Award at JODOC 2025
#IQCCproud @univgirona.bsky.social

www.udg.edu/ca/instituts...
July 16, 2025 at 10:50 AM
Congratulations! Xavi Ribas wins Research Excellence Award Serra Húnter
@recercauniscat.bsky.social #SerraHunter
#IQCCproud @univgirona.bsky.social

www.udg.edu/ca/instituts...
July 16, 2025 at 8:22 AM
Congratulations! Filippo Scarchilli wins poster prize at the XL Bienal RSEQ @rseq-quimica.bsky.social

#IQCCproud #BQB2025 @univgirona.bsky.social

www.udg.edu/ca/instituts...
July 11, 2025 at 11:00 AM