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Israel Fernández

@isra-group

Research group of Prof. Israel Fernández Computational Chemistry at the Universidad Complutense de Madrid https://www.ucm.es/computchem email: israel@ucm.es

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23.11.2024
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Latest posts by Israel Fernández @isra-group

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Our last work on Iron and N2O: "Metal–Metal vs Metal–Ligand Cooperation in Iron-Mediated Activation and Catalytic Reduction of Nitrous Oxide and Nitrobenzene" - now published in Chemical Science pubs.rsc.org/en/content/a...

03.03.2026 10:33 👍 13 🔁 5 💬 1 📌 1

Gracias Javier!

27.02.2026 11:11 👍 0 🔁 0 💬 0 📌 0

Many thanks, Felix!

26.02.2026 12:39 👍 0 🔁 0 💬 0 📌 0
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I am immensely honored to have been appointed a Chemistry Europe Fellow and to join this distinguished group of chemists across Europe. This award truly means a lot to me. Thank you! @chemistryviews.bsky.social
www.chemistryviews.org/chemistry_eu...

26.02.2026 10:47 👍 6 🔁 1 💬 2 📌 0
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Visible-Light-Mediated Lewis Acid-Catalyzed Diradical Hydrogen Atom Transfer Reaction of Bicyclo[1.1.0]butanes Nitrogen-containing heterocycles are essential to chemical and life sciences due to their diverse biological activities and functional versatility. However, in contrast to 3D bioisosteres of the benzene ring, analogous bioisosteres of nitrogen-containing heterocycles remain quite limited despite several recent developments, where pyridone, a “central bioisostere” for amide, phenyl, pyridine, pyridine N-oxides, and phenols, should be especially highlighted. Herein, we report an effective route for the divergent synthesis of 3-azabicyclo[3.1.1]heptan-2-ones as promising pyridone bioisosteres from bicycle-butanes (BCBs) via Ir/Lewis acid-catalyzed programmed hydrogen atom transfer of C(sp3)–H bonds and subsequent cyclization under visible light. Mechanistic evidence and DFT calculations suggest that the acid catalyst was crucial for the success via isomerizing BCBs and modulating the reactivity of the diradical intermediates to unlock a challenging carbon-to-carbon DHAT and subsequent cyclization that allows the functionalization of various C(sp3)–H bonds, accessing underexplored 3-azabicyclo[3.1.1]heptan-2-ones. Lastly, further transformations and applications in synthetic chemistry and bioactive molecules reveal their promising potential in organic synthesis, materials science, and pharmaceuticals.

Check out this fantastic collaboration with Y. Xiong just accepted in @jacs.acspublications.org on the Visible-Light-Mediated Lewis Acid-Catalyzed Diradical Hydrogen Atom Transfer Reaction of Bicyclo[1.1.0]butanes pubs.acs.org/doi/10.1021/...

06.02.2026 08:47 👍 2 🔁 0 💬 0 📌 0
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Coming up on Thursday: Online #BeilsteinTalk “The interplay between aromaticity and reactivity” with Israel Fernández @isra-group.bsky.social , Complutense University of Madrid 🇪🇸.

📅 Feb 5, 2026 🕒 3–4 pm CET
✍ https://tinyurl.com/2wk27476

Register for FREE! 
#ComputationalChemistry #BeilsteinTalks

02.02.2026 14:02 👍 5 🔁 1 💬 0 📌 0
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Invitation to join the FREE online #BeilsteinTalk “The interplay between aromaticity and reactivity” with Israel Fernández @isra-group.bsky.social, Complutense University of Madrid 🇪🇸.
📅 Feb 5, 2026 🕒 3–4 pm CET
✍ https://tinyurl.com/2wk27476
#aromaticity #ComputationalChemistry #BeilsteinTalks

26.01.2026 14:02 👍 4 🔁 1 💬 0 📌 0

A brief and exciting excursion into palladium chemistry with @remglasgow.bsky.social and @isra-group.bsky.social now online in @rsc.org Chem. Commun.!

pubs.rsc.org/en/content/a...

16.12.2025 15:28 👍 6 🔁 2 💬 0 📌 0
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Snapshots of Cooperative Trimetallic Alkene Hydrogenation Bimetallic cooperativity and synergistic effects have emerged as powerful tools that can enhance the reactivity and selectivity of catalytic systems, offering a pathway toward the development of catal...

Check out our last collaboration with @hadlingtongroup.bsky.social just published in @jacs.acspublications.org on Snapshots of Cooperative Trimetallic Alkene Hydrogenation pubs.acs.org/doi/10.1021/...

06.12.2025 06:58 👍 11 🔁 3 💬 1 📌 1
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How Teacher Evaluations Broke the University “We give them all A’s, and they give us all fives.”

www.theatlantic.com/ideas/archiv...

13.09.2025 15:43 👍 6 🔁 3 💬 2 📌 0
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Heavyweight Champion: Caesium Diorganophosphides Outperform Lighter Congeners in the Catalytic Hydrophosphination of Alkenes and Alkynes The heavier, the better! We report that the caesium congener is the most active and versatile catalyst amongst a full group set of well-defined crown ether supported alkali metal diphenyl phosphides ...

The promised watch this space is now online with VIP status
Heavyweight Champion: Caesium Diorganophosphides Outperform Lighter Congeners in Catalytic Hydrophosphination Angewandte Chemie International Edition - Wiley Online Library onlinelibrary.wiley.com/doi/10.1002/...

11.09.2025 11:21 👍 24 🔁 4 💬 0 📌 4
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Copper‐Catalyzed Defluorinative Allylboration of Allenes with Trifluoromethyl Alkenes A copper-catalyzed borylative coupling of allenes with 1-trifluoromethyl alkenes is reported. The reaction selectively provides synthetically versatile borylated 1,1-difluoro-1,5-dienes that can be c....

Thrilled to share our last collaborative work with M. Fañanas just published in @chemistryeurope.bsky.social on the Copper‐Catalyzed Defluorinative Allylboration of Allenes with Trifluoromethyl Alkenes chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/...

11.09.2025 07:58 👍 6 🔁 1 💬 0 📌 0
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Transition-state aromaticity and its relationship with reactivity in pericyclic reactions Beilstein Journal of Organic Chemistry

Check out our Perspective on Transition-state aromaticity and its relationship with reactivity in pericyclic reactions just published in BJOC @beilstein-institut.bsky.social www.beilstein-journals.org/bjoc/article...

13.08.2025 07:26 👍 10 🔁 1 💬 0 📌 0
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Crown Ether Supported Alkali Metal Phosphides: Synthesis, Structures and Bonding Crowned! Herein we describe a complete series of crown ether coordinated alkali metal phosphides from lithium to cesium, including solid state structures, detailed investigations in solution and exte...

Happy to share this work with
@felixkraemer.bsky.social
and @remglasgow.bsky.social just published in @chemistryeurope.bsky.social ChemEurJ as VIP article on Crown Ether Supported Alkali Metal Phosphides: Synthesis, Structures and Bonding
chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/...

04.08.2025 08:49 👍 14 🔁 2 💬 0 📌 0
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JOB ALERT! 🚨 Are you interested in organic synthesis and catalysis? We have an open PhD position in our group at Philipps-Universität Marburg in Germany. 👩‍🔬👨‍🔬 Deadline: 10th August 2025. For more details and to submit an application, please refer to the official posting here: lnkd.in/e_f3Xerq
#chemsky

20.07.2025 09:49 👍 19 🔁 17 💬 0 📌 0

Great work indeed!
Grateful for being part of it!

21.06.2025 17:57 👍 4 🔁 0 💬 0 📌 0
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Stepwise Acetylene Insertion and Ammonia Activation at a Digallene and Diindene Sequential [2+2] cycloaddition reactions between acetylene and the digallene and diindene compounds (ETer)2 (E = Ga, In; Ter = 2,6-Dipp2-C6H3; Dipp = 2,6-diisopropylphenyl) are described. Careful con...

PDRA extraordinaire, Álvaro García-Romero, hits it out if the park again! Check out his most recent work out today in @angewandtechemie.bsky.social. Outstanding computational support by DFT master @isra-group.bsky.social! Further details here: onlinelibrary.wiley.com/doi/10.1002/...

21.06.2025 16:22 👍 17 🔁 6 💬 1 📌 1
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Understanding Small Molecule Activation Promoted by Heavier Benzene 1,4‐diides: Interplay between Diradical Character and Aromaticity The intricate relationship between diradical character, aromaticity, and reactivity in annulated heavier Group 14 benzene-1,4-diides, i.e. [(ADC)E]2 (E = Si, Ge, Sn), based on an anionic dicarbene fr...

Check out our work just accepted in @chemistryeurope.bsky.social (ChemEurJ) on Understanding Small Molecule Activation by Heavier Benzene 1,4‐diides: Interplay between Diradical Character and Aromaticity @ghadwalgroup.bsky.social chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/...

17.06.2025 06:16 👍 13 🔁 3 💬 0 📌 0
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Reduction‐Induced C–C Cleavage and Site‐Specific Hydrogenation of a Highly Strained Bilayer Spironanographene. The chemical reduction of a bilayer spironanographene, spiro-NG (C137H120), with Na and K metals in the presence of [2.2.2]cryptand to yield [Na+(2.2.2-cryptand)](C137H121–) (1) and [K+(2.2.2-cryptan...

Two in a row with @nazariolab ! Just accepted in @angewandtechemie.bsky.social the Reduction-Induced C–C Cleavage and Site-Specific Hydrogenation of a Highly Strained Bilayer Spironanographene.

doi.org/10.1002/anie...

12.06.2025 06:52 👍 3 🔁 0 💬 0 📌 0
Diastereoselective Scholl reaction: Point-to-helical chirality transfer in molecular nanographenes A stereoselective control of molecular nanographene helicity has been achieved by a point-to-helical chirality transfer during the Scholl graphitization reaction to obtain compound 4. Density Function...

Just accepted in @chemicalscience.rsc.org
our last collaboration with @nazariolab
on the Diastereoselective Scholl reaction: Point-to-helical chirality transfer in molecular nanographenes
pubs.rsc.org/en/content/a...

09.06.2025 08:26 👍 9 🔁 2 💬 0 📌 0
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Mechanism and Origin of Regioselectivity in the Phosphine-Catalyzed Heine Reaction Herein, we present a comprehensive computational study of the reaction mechanism and regioselectivity patterns of the phosphine-catalyzed Heine reaction involving N-benzoylaziridines. Density function...

Happy to share our last work just published in @acs.org JOC on the Mechanism and origin of regioselectivity in the phosphine-catalyzed Heine reaction pubs.acs.org/doi/full/10....

08.05.2025 07:40 👍 5 🔁 0 💬 0 📌 0
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Stabilities and Limitations in the Reactivity of Phosphorus Ylide‐Based Aluminum‐ and Gallium‐Carbon Ambiphiles − A Combined Experimental and Computational Approach The unexpected reactivity and stability limits of phosphorus ylide-based aluminum- and gallium-carbon ambiphiles are described. While the previously published t-butyl-substituted compound (2-{AltBu2}...

A detailed study on the reactivity of ambiphilic metallacycles is presented. Thanks to @felixkraemer.bsky.social, @pascalweisenb.bsky.social and @isra-group.bsky.social)! Have a look at the paper 👉 doi.org/10.1002/ejic...

09.04.2025 08:26 👍 7 🔁 3 💬 0 📌 1
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Influence of the Nature of Group 15 Element on [AuI]–C≡E/Azide 1,3-Dipolar Cycloaddition Reaction The impact of the nature of the Group 15 element on both the bonding situation and the reactivity of gold(I)-C ≡ E (E = N to Bi) complexes has been studied quantum chemically within the density theory...

Check out our last work just accepted in Inorg. Chem. @pubs.acs.org on the Influence of the Nature of Group 15 Element on [AuI]–C≡E/Azide 1,3-Dipolar Cycloaddition Reaction pubs.acs.org/doi/full/10....

12.03.2025 08:51 👍 8 🔁 1 💬 0 📌 0
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Enantioselective photocatalytic synthesis of bicyclo[2.1.1]hexanes as ortho-disubstituted benzene bioisosteres with improved biological activity - Nature Chemistry The incorporation of saturated bioisosteres of phenyl rings has emerged as an appealing strategy in drug-discovery programmes. However, stereocontrolled access to these sp3-hybridized skeletons remain...

Thrilled to share this fantastic work with M. Tortosa just published in @naturechemistry.bsky.social

www.nature.com/articles/s41...

25.02.2025 14:57 👍 14 🔁 1 💬 0 📌 0
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Stepwise alkyne insertion in Au(I) acetylides: influence of the nuclearity The reaction between NHC-supported (NHC = N-heterocyclic carbene) gold(i) trimethylsilylacetylide complexes with NHC gold(i) hydroxide species renders different symmetrical homobimetallic Au complexes...

Thrilled to share our last work with P. Ríos just accepted in @chemsci.bsky.social on the Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity

pubs.rsc.org/en/content/a...

14.02.2025 05:11 👍 20 🔁 2 💬 0 📌 1

Gracias!

26.12.2024 12:33 👍 0 🔁 0 💬 0 📌 0
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Extended Tetrathiafulvalene Multi‐Redox Systems Incorporating 4,5‐Dihydroazuleno[2,1,8‐ija]azulene Cores The introduction of 4,5-dihydroazuleno[2,1,8-ija]azulene as a central core between two 1,4-dithiafulvene (DTF) units provides a novel class of extended tetrathiafulvalene (TTF) electron donors. Herei....

Santa came to town….Check out this international collaborative work just accepted in @angewandtechemie.bsky.social on
Extended Tetrathiafulvalene Multi‐Redox Systems Incorporating 4,5‐Dihydroazuleno[2,1,8‐ija]azulene Cores

onlinelibrary.wiley.com/doi/10.1002/...

26.12.2024 09:32 👍 14 🔁 1 💬 1 📌 0
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Structural Snapshots of Reversible Carbon Dioxide Capture and (De)oxygenation at Group 14 Diradicaloids Although diradicals should exhibit a rather small reaction barrier as compared to closed-shell species for activating kinetically inert molecules, the activation and functionalization of carbon dioxid...

Excited to share this fantastic collaboration with
Ghadwal_Group just published in JACS @acspublications.bsky.social on Carbon Dioxide Capture and (De)oxygenation at Group 14 Diradicaloids
pubs.acs.org/doi/10.1021/...

09.12.2024 08:43 👍 13 🔁 3 💬 0 📌 0
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“El 96% de las universidades públicas son transparentes frente al 19% de las privadas” https://hazrevista.org/transparencia/2024/11/96-por-ciento-universidades-publicas-transparentes-19-por-ciento-privadas/

02.12.2024 21:46 👍 12 🔁 7 💬 0 📌 0
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Visible Light‐Mediated [4+2] Annulation of Silylimines with Olefins to 1‐Aminotetralins Enabled by Diradical Hydrogen Atom Transfer of C−H Bonds A facile photochemical, one-pot synthesis of highly functionalized 1-aminotetralins derivatives (> 70 examples) from readily accessible o-alkyl and o-formyl aryl silylimines with olefins is described...

Thrilled to share our last work in collaboration with
YangXiong just accepted in AngewChem
on Visible light‐mediated [4+2] annulation of silylimines with olefins involving Diradical Hydrogen Atom Transfer (DHAT) of C−H Bonds
onlinelibrary.wiley.com/doi/10.1002/...

28.11.2024 08:48 👍 5 🔁 0 💬 0 📌 0