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
Computational Chemistry at the Universidad Complutense de Madrid
https://www.ucm.es/computchem
email: israel@ucm.es
Reposted by Israel Fernández
Reposted by Israel Fernández
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/...
Heavyweight Champion: Caesium Diorganophosphides Outperform Lighter Congeners in Catalytic Hydrophosphination Angewandte Chemie International Edition - Wiley Online Library onlinelibrary.wiley.com/doi/10.1002/...
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 ...
onlinelibrary.wiley.com
September 11, 2025 at 11:21 AM
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/...
Heavyweight Champion: Caesium Diorganophosphides Outperform Lighter Congeners in Catalytic Hydrophosphination Angewandte Chemie International Edition - Wiley Online Library onlinelibrary.wiley.com/doi/10.1002/...
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/...
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....
chemistry-europe.onlinelibrary.wiley.com
September 11, 2025 at 7:58 AM
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/...
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...
Transition-state aromaticity and its relationship with reactivity in pericyclic reactions
Beilstein Journal of Organic Chemistry
www.beilstein-journals.org
August 13, 2025 at 7:26 AM
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...
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/...
@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/...
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...
chemistry-europe.onlinelibrary.wiley.com
August 4, 2025 at 8:49 AM
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/...
@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/...
Reposted by Israel Fernández
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
#chemsky
July 20, 2025 at 9:49 AM
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
#chemsky
Great work indeed!
Grateful for being part of it!
Grateful for being part of it!
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/...
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...
onlinelibrary.wiley.com
June 21, 2025 at 5:57 PM
Great work indeed!
Grateful for being part of it!
Grateful for being part of it!
Reposted by Israel Fernández
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/...
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...
onlinelibrary.wiley.com
June 21, 2025 at 4:22 PM
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/...
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/...
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...
chemistry-europe.onlinelibrary.wiley.com
June 17, 2025 at 6:16 AM
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/...
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...
doi.org/10.1002/anie...
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...
doi.org
June 12, 2025 at 6:52 AM
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...
doi.org/10.1002/anie...
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...
our last collaboration with @nazariolab
on the Diastereoselective Scholl reaction: Point-to-helical chirality transfer in molecular nanographenes
pubs.rsc.org/en/content/a...
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...
pubs.rsc.org
June 9, 2025 at 8:26 AM
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...
our last collaboration with @nazariolab
on the Diastereoselective Scholl reaction: Point-to-helical chirality transfer in molecular nanographenes
pubs.rsc.org/en/content/a...
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....
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...
pubs.acs.org
May 8, 2025 at 7:40 AM
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....
Reposted by Israel Fernández
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...
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}...
doi.org
April 9, 2025 at 8:26 AM
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...
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....
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...
pubs.acs.org
March 12, 2025 at 8:51 AM
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....
Thrilled to share this fantastic work with M. Tortosa just published in @naturechemistry.bsky.social
www.nature.com/articles/s41...
www.nature.com/articles/s41...
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...
www.nature.com
February 25, 2025 at 2:57 PM
Thrilled to share this fantastic work with M. Tortosa just published in @naturechemistry.bsky.social
www.nature.com/articles/s41...
www.nature.com/articles/s41...
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...
pubs.rsc.org/en/content/a...
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...
pubs.rsc.org
February 14, 2025 at 5:11 AM
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...
pubs.rsc.org/en/content/a...
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/...
Extended Tetrathiafulvalene Multi‐Redox Systems Incorporating 4,5‐Dihydroazuleno[2,1,8‐ija]azulene Cores
onlinelibrary.wiley.com/doi/10.1002/...
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....
onlinelibrary.wiley.com
December 26, 2024 at 9:32 AM
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/...
Extended Tetrathiafulvalene Multi‐Redox Systems Incorporating 4,5‐Dihydroazuleno[2,1,8‐ija]azulene Cores
onlinelibrary.wiley.com/doi/10.1002/...
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/...
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/...
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...
pubs.acs.org
December 9, 2024 at 8:43 AM
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/...
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/...
Reposted by Israel Fernández
“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/
December 2, 2024 at 9:46 PM
“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/
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/...
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/...
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...
onlinelibrary.wiley.com
November 28, 2024 at 8:48 AM
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/...
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/...
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/...
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/...
November 26, 2024 at 8:07 AM
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/...
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/...
Reposted by Israel Fernández
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
www.ucm.es/file/carta-p...
#LaEducaciónNosUne
#DefendamosLoPúblico
November 25, 2024 at 12:22 PM
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
www.ucm.es/file/carta-p...
#LaEducaciónNosUne
#DefendamosLoPúblico
One can study many things with computational chemistry...according to my cloud from scholargoggler.com
November 24, 2024 at 4:11 PM
One can study many things with computational chemistry...according to my cloud from scholargoggler.com