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Israel Fernández

@isra-group.bsky.social

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

344 Followers  |  368 Following  |  15 Posts  |  Joined: 23.11.2024  |  1.7385

Latest posts by isra-group.bsky.social on Bluesky

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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 — 👍 13    🔁 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    🔁 3    💬 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 — 👍 13    🔁 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
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Happy to share our last work by S. Portela
on Understanding the reactivity and selectivity of Oxazaborolidium ion‐Catalyzed Diels‐Alder Reactions Involving Cyclobutenones as Dienophiles. Thanks
ChemPlusChem for the invitation
chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/...

26.11.2024 08:07 — 👍 11    🔁 2    💬 0    📌 0
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El rector de #LaComplutense se dirige a la presidenta de la Comunidad de Madrid para expresar su más firme #desacuerdo con sus recientes declaraciones en la Asamblea de Madrid acerca de la Universidad Complutense de Madrid

www.ucm.es/file/carta-p...

#LaEducaciónNosUne
#DefendamosLoPúblico

25.11.2024 12:22 — 👍 83    🔁 51    💬 4    📌 16
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One can study many things with computational chemistry...according to my cloud from scholargoggler.com

24.11.2024 16:11 — 👍 7    🔁 0    💬 0    📌 0

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