List of works by Israel Fernández

"Naked" Ga+ and In+ as pure acceptor ligands: structure and bonding of [GaPt(GaCp*)4][BArF]

scientific article published on 01 August 2006

2,4,5-Trimethylimidazolium Scaffold for Anion Recognition Receptors Acting Through Charge-Assisted Aliphatic and Aromatic C-H Interactions.

scientific article

A DFT study of the ambiphilic nature of arylpalladium species in intramolecular cyclization reactions

scientific article published on 01 February 2011

A Germylene Supported by Two 2-Pyrrolylphosphane Groups as Precursor to PGeP Pincer Square-Planar Group 10 Metal(II) and T-Shaped Gold(I) Complexes

scientific article published on 28 August 2019

A Hemilabile and Cooperative N-Donor-Functionalized 1,2,3-Triazol-5-Ylidene Ligand for Alkyne Hydrothiolation Reactions

scientific article published on 22 November 2016

A One-Pot Synthesis of N-Aryl-2-Oxazolidinones and Cyclic Urethanes by the Lewis Base Catalyzed Fixation of Carbon Dioxide into Anilines and Bromoalkanes.

scientific article published on 24 May 2016

A Route to Base Coordinate Silicon Difluoride and the Silicon Trifluoride Radical

scientific article

A dipyrromethane-based diphosphane-germylene as precursor to tetrahedral copper(i) and T-shaped silver(i) and gold(i) PGeP pincer complexes

scientific article published on 19 August 2019

A gold-catalysed imine–propargylamine cascade sequence: synthesis of 3-substituted-2,5-dimethylpyrazines and the reaction mechanism

scientific article published on 01 May 2014

Access to Enantiopure 5-, 7-, and 5,7-Substituted cis-Decahydroquinolines: Enantioselective Synthesis of (-)-Cermizine B

scientific article published on 21 March 2017

Activation-strain analysis reveals unexpected origin of fast reactivity in heteroaromatic azadiene inverse-electron-demand diels-alder cycloadditions

scientific article published on 04 December 2014

Allenes and computational chemistry: from bonding situations to reaction mechanisms.

scientific article published on 20 February 2014

An Entry to Stable Mixed Phosphine-Osmium-NHC Polyhydrides

scientific article published on 04 May 2016

Applied computational chemistry

scientific article published on 11 June 2014

Aromaticity and activation strain analysis of [3 + 2] cycloaddition reactions between group 14 heteroallenes and triple bonds

scientific article published on 09 March 2011

Aromaticity can enhance the reactivity of P-donor/borole frustrated Lewis pairs

scientific article published on 19 December 2018

Aromaticity in Group 14 homologues of the cyclopropenylium cation

scientific article published on 19 January 2011

Aromaticity in metallabenzenes

scientific article published on 01 January 2007

Aromaticity in transition structures

scientific article published on July 2014

Aromaticity of metallabenzenes and related compounds

scientific article

Barium as honorary transition metal in action: Experimental and theoretical study of [Ba(CO)]+ and [Ba(CO)].

scientific article published on 12 February 2018

Bent Phosphaallenes With "Hidden" Lone Pairs as Ligands

scientific article published on 15 May 2019

Biological activity of Fe(III) aquo-complexes towards ferric chelate reductase (FCR)

scientific article published on 07 February 2012

Biomimetic 2-Imino-Nazarov Cyclizations via Eneallene Aziridination

scientific article published on 10 March 2020

Bonding situation in isolable silver(I) carbonyl complexes of the Scorpionates

scientific article published on 12 March 2022

Borylene-based direct functionalization of organic substrates: synthesis, characterization, and photophysical properties of novel pi-conjugated borirenes.

scientific article published in July 2009

Buckyball Difluoride F @C -A Single-Molecule Crystal

scientific article published on 19 September 2018

Carbon dioxide-based facile synthesis of cyclic carbamates from amino alcohols

scientific article published on 12 March 2018

Carbones and Heavier Ylidones (EL2) in Frustrated Lewis Pair Chemistry: Influence of the Nature of EL2 on Dihydrogen Activation

scientific article published on 24 May 2019

Cationic AuIII versus AuI : Catalyst-Controlled Divergent Reactivity of Alkyne-Tethered Lactams

scientific article published on 20 January 2017

Characterization of a CholesteroNitrone (ISQ-201), a Novel Drug Candidate for the Treatment of Ischemic Stroke

scientific article published on 31 March 2020

Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry

scientific article published on 30 October 2020

Combined activation strain model and energy decomposition analysis methods: a new way to understand pericyclic reactions

scientific article published on 01 May 2014

Computational and experimental studies on the mechanism of the photochemical carbonylation of group 6 Fischer carbene complexes

scientific article published on 01 October 2005

Concerted and stepwise mechanisms in metal-free and metal-assisted [4+3] cycloadditions involving allyl cations.

scientific article published on October 2010

Consistent aromaticity evaluations of methylenecyclopropene analogues.

scientific article published on 3 November 2010

Control over the E/Z selectivity of the catalytic dimerization of group 6 (Fischer) metal carbene complexes

scientific article published on 14 January 2013

Control over the chemoselectivity of Pd-catalyzed cyclization reactions of (2-iodoanilino)carbonyl compounds

scientific article published on 04 April 2012

Controlling the ambiphilic nature of σ-arylpalladium intermediates in intramolecular cyclization reactions.

scientific article published on 19 August 2013

Controlling the oxidative addition of aryl halides to Au(I)

scientific article published on 27 September 2014

Correlation between Hammett substituent constants and directly calculated pi-conjugation strength

scientific article published on 01 March 2006

Cu-catalyzed synthesis of symmetric group 6 (Fischer) bis-carbene complexes

scientific article published on 10 January 2008

Cycloosmathioborane Compounds: Other Manifestations of the Hückel Aromaticity

scientific article published on 30 January 2019

De Novo Synthesis of α-Hydroxy Ketones by Gallic Acid-Promoted Aerobic Coupling of Terminal Alkynes with Diazonium Salts.

scientific article

Deeper Insight into the Diels-Alder Reaction through the Activation Strain Model.

scientific article published on 10 November 2016

Deeper Insight into the Factors Controlling H2 Activation by Geminal Aminoborane-Based Frustrated Lewis Pairs

scientific article published on 16 November 2016

Deeper insight into the mechanism of the reaction of photogenerated metallaketenes and imines.

scientific article published on 24 September 2008

Description of aromaticity in porphyrinoids

scientific article published on 21 December 2012

Direct Access to 2,3,4,6-Tetrasubstituted Tetrahydro-2H-pyrans via Tandem SN2'-Prins Cyclization.

scientific article

Direct Assembly of 2-Oxazolidinones by Chemical Fixation of Carbon Dioxide

scientific article published on 06 June 2014

Direct estimate of conjugation and aromaticity in cyclic compounds with the EDA method

scientific article published on 01 January 2007

Direct estimate of the strength of conjugation and hyperconjugation by the energy decomposition analysis method

scientific article

Discovering mechanistic insights by application of tandem ultrafast multidimensional NMR techniques

scientific article published on 12 August 2014

Divergent Reactivity of Homologueortho-Allenylbenzaldehydes Controlled by the Tether Length: Chromone versus Chromene Formation

scientific article published on 21 November 2014

Divergent pathways in the reaction of Fischer carbenes and palladium

scientific article published on 27 March 2007

Diverting Hydrogenations with Wilkinson's Catalyst towards Highly Reactive Rhodium(I) Species

scientific article published on 6 October 2015

Do ν(CO) stretching frequencies in metal carbonyl complexes unequivocally correlate with the intrinsic electron-donicity of ancillary ligands?

scientific article published on 05 May 2011

Double group transfer reactions: role of activation strain and aromaticity in reaction barriers

scientific article published on 01 December 2009

Dyotropic reactions: mechanisms and synthetic applications

scientific article published on 01 December 2009

EDA study of pi-conjugation in tunable Bis(gem-diethynylethene) fluorophores

scientific article published on 22 August 2007

Effect of the metal fragment in the thermal cycloaddition between alkynyl metal(0) Fischer carbene complexes and nitrones

scientific article published on 01 August 2006

Electrochemical illumination of thienyl and ferrocenyl chromium(0) Fischer carbene complexes

scientific article published on 15 February 2013

Electronic structure of alkoxychromium(0) carbene complexes: a joint TD-DFT/experimental study

scientific article published on 15 May 2008

Enantiodivergent Synthesis of (+)- and (-)-Pyrrolidine 197B: Synthesis of trans-2,5-Disubstituted Pyrrolidines by Intramolecular Hydroamination.

scientific article published on 14 September 2016

Ene-ene-yne Reactions: Activation Strain Analysis and the Role of Aromaticity

scientific article published on 24 February 2014

Evidence for a Bis(Elongated σ)-Dihydrideborate Coordinated to Osmium.

scientific article published on 2 April 2018

Exocyclic delocalization at the expense of aromaticity in 3,5-bis(pi-donor) substituted pyrazolium ions and corresponding cyclic bent allenes.

scientific article published in August 2009

Factors Controlling the Reactivity and Selectivity of the Diels-Alder Reactions Involving 1,2-Azaborines

scientific article published on 14 July 2016

Factors Controlling the Reactivity of Strained-Alkyne Embedded Cycloparaphenylenes

scientific article published on 18 March 2019

Factors Governing the Diels-Alder Reactivity of (2,7)Pyrenophanes.

scientific article published on 11 July 2017

Factors controlling β-elimination reactions in group 10 metal complexes

scientific article published on 21 August 2015

Fascinating reactivity in gold catalysis: synthesis of oxetenes through rare 4-exo-dig allene cyclization and infrequent β-hydride elimination

scientific article published on 18 July 2011

Fine-Tuning the Fluorescence Gain of FRET-Type (Bodipy)(Bodipy')-NHC-Iridium Complexes for CO Detection with a Large Virtual Stokes Shift

scientific article published on 8 November 2016

Fischer-type gold(I) carbene complexes stabilized by aurophilic interactions.

scientific article

Further shortening of the C-C single bond in substituted tetrahedranyl tetrahedrane systems: an energy decomposition analysis.

scientific article published in December 2008

Gold-Catalyzed Divergent Ring-Closing Modes of Indole-Tethered Amino Allenynes

scientific article

Gold-catalysed tuning of reactivity in allenes: 9-endo hydroarylation versus formal 5-exo hydroalkylation

scientific article published on 08 January 2013

Gold-catalyzed oxycyclization of allenic carbamates: expeditious synthesis of 1,3-oxazin-2-ones.

scientific article published on 26 April 2013

Grubbs catalysts in intramolecular carbene C(sp3)-H insertion reactions from α-diazoesters

scientific article published on 11 January 2019

Homo and Hetero Molecular 3D Nanographenes Employing a Cyclooctatetraene Scaffold

scientific article published on 21 February 2020

How Dihalogens Catalyze Michael Addition Reactions

article

How Lewis Acids Catalyze Diels-Alder Reactions

scientific article published on 19 February 2020

Hydrogen bond-aromaticity cooperativity in self-assembling 4-pyridone chains

scientific article published on 23 June 2015

Hydrogenation of Multiple Bonds by Geminal Aminoborane-Based Frustrated Lewis Pairs

scientific article published on 22 May 2018

Hyperconjugative stabilization in alkyl carbocations: direct estimate of the beta-effect of group-14 elements

scientific article published on 14 July 2007

Impact of C=C/B-N Replacement on the Diels-Alder Reactivity of Curved Polycyclic Aromatic Hydrocarbons

scientific article published on 27 June 2019

In-plane aromaticity in double group transfer reactions

scientific article published on 01 February 2007

Influence of the Lewis Acid/Base Pairs on the Reactivity of Geminal E-CH2 -E' Frustrated Lewis Pairs

scientific article published on 07 November 2018

Influence of the Transition-Metal Fragment on the Reactivity of Metallaanthracenes

scientific article published on 24 March 2017

Intermolecular [3+3] ring expansion of aziridines to dehydropiperi-dines through the intermediacy of aziridinium ylides

scientific article published on 09 March 2020

Interplay between aromaticity and strain in double group transfer reactions to 1,2-benzyne

scientific article published on 11 February 2016

Intramolecular Pd(0)-catalyzed reactions of (2-iodoanilino)-aldehydes: a joint experimental-computational study

scientific article published on 05 November 2012

Iodine recycling via 1,3-migration in iodoindoles under metal catalysis.

scientific article published in September 2013

Iridium-Promoted B-B Bond Activation: Preparation and X-ray Diffraction Analysis of a mer-Tris(boryl) Complex

scientific article published on 27 March 2019

Is it possible to achieve a complete desaturation of cycloalkanes promoted by o-benzyne?

scientific article published on 01 March 2015

Is it possible to synthesize a neutral noble gas compound containing a Ng-Ng bond? A theoretical study of H-Ng-Ng-F (Ng = Ar, Kr, Xe).

scientific article

Light-induced aminocarbene to imine dyotropic rearrangement in a chromium(0) center: an unprecedented reaction pathway

scientific article published on 01 August 2003

Metal-Catalyzed Cyclization Reactions of 2,3,4-Trien-1-ols: A Joint Experimental-Computational Study.

scientific article

Metal-Free Allene-Based Synthesis of Enantiopure Fused Polycyclic Sultones

scientific article published on 23 November 2015

Metal-tuned photochemistry of metallocene-substituted chromium(0)-carbene complexes

scientific article published on 01 January 2009

Microwave-Promoted Synthesis of Bicyclic Azocine-β-Lactams from Bis(allenes)

scientific article published on 17 July 2014

Multifunctional imidazobenzothiadiazole probe displaying solvatofluorochromism and ability to form ion-pair complexes in solid state and in solution

scientific article published on 05 May 2015

Neutral noble gas compounds exhibiting a Xe-Xe bond: structure, stability and bonding situation

scientific article published on 15 June 2012

Nickel-catalyzed [3+2+2] cycloadditions between alkynylidenecyclopropanes and activated alkenes

scientific article published on 01 December 2010

Nickel-catalyzed intramolecular [3 + 2 + 2] cycloadditions of alkylidenecyclopropanes. A straightforward entry to fused 6,7,5-tricyclic systems.

scientific article published on 18 September 2014

Noyori hydrogenation: aromaticity, synchronicity, and activation strain analysis.

scientific article published on 24 May 2013

Nucleophilic Substitution in Reactions between Partially Hydrated Superoxide Anions and Alkyl Halides

scientific article published on 03 June 2015

On the incidence of non-covalent intramolecular interligand interactions on the conformation of carbene complexes: a case study.

scientific article published in January 2013

On the structure and spin states of Fe(III)-EDDHA complexes

scientific article published on 01 July 2006

One-pot synthesis of 1,3,5-triazine derivatives via controlled cross-cyclotrimerization of nitriles: a mechanism approach

scientific article published on 18 July 2014

Organo-Aluminum and Zinc Acetamidinates: Preparation, Coordination Ability, and Ring-Opening Polymerization Processes of Cyclic Esters

scientific article published on 13 September 2018

Organometallic chemistry of Ga(+): formation of an unusual gallium dimer in the coordination sphere of ruthenium.

scientific article published in January 2008

Origin of Reactivity Trends of Noble Gas Endohedral Fullerenes Ng2@C60 (Ng = He to Xe)

scientific article published on 05 June 2014

Origin of the "endo rule" in Diels-Alder reactions

scientific article published on 25 November 2013

Palladium- and Ruthenium-Catalyzed Intramolecular Carbene CAr -H Functionalization of γ-Amino-α-diazoesters for the Synthesis of Tetrahydroquinolines

scientific article published on 08 July 2019

Palladium-Catalyzed Intramolecular Carbene Insertion into C(sp(3) )-H Bonds

scientific article published on 15 April 2016

Palladium-catalysed intramolecular carbenoid insertion of α-diazo-α-(methoxycarbonyl)acetanilides for oxindole synthesis

scientific article published on 28 February 2017

Palladium-catalyzed carbocyclization-cross-coupling reactions of two different allenic moieties: synthesis of 3-(buta-1,3-dienyl) carbazoles and mechanistic insights.

scientific article published on 24 May 2012

Parent Thioketene S-Oxide H2 CCSO: Gas-Phase Generation, Structure, and Bonding Analysis.

scientific article

Peroxide bond strength of antimalarial drugs containing an endoperoxide cycle. Relation with biological activity.

scientific article

Photochemistry of group 6 Fischer carbene complexes: beyond the photocarbonylation reaction

scientific article published on 25 April 2011

Pi-conjugation in donor-substituted cyanoethynylethenes: an EDA study

scientific article published on 17 November 2006

Pi-stacking effect on levoglucosenone derived internal chiral auxiliaries. A case of complete enantioselectivity inversion on the Diels-Alder reaction

scientific article published on 17 July 2008

Predicting and Understanding the Reactivity of Aza[60]fullerenes.

scientific article published on 15 December 2016

Prins Cyclization Catalyzed by a Fe(III) /Trimethylsilyl Halide System: The Oxocarbenium Ion Pathway versus the [2+2] Cycloaddition

scientific article published on 10 September 2015

Pt-M Complexes (M=Ag, Au) as Models for Intermediates in Transmetalation Processes

scientific article published on 21 August 2018

Rational design of a nonbasic molecular receptor for selective NH4+/K+ complexation in the gas phase

scientific article published on 06 November 2012

Rationalizing the Regioselectivity of the Diels–Alder Biscycloaddition of Fullerenes

scientific article published on 26 February 2018

Reactions between microhydrated superoxide anions and formic acid.

scientific article published on 18 August 2017

Reactivity and Selectivity of Bowl-Shaped Polycyclic Aromatic Hydrocarbons: Relationship to C60.

scientific article published on 8 December 2015

Redox behaviour of cymantrene Fischer carbene complexes in designing organometallic multi-tags.

scientific article

Reduction of Benzonitriles via Osmium-Azavinylidene Intermediates Bearing Nucleophilic and Electrophilic Centers

scientific article published on 19 June 2019

Regio- and diastereoselective stepwise [8 + 3]-Cycloaddition reaction between tropone derivatives and donor-acceptor cyclopropanes

scientific article published on 16 September 2013

Regioselective and stepwise [8 + 2] cycloaddition reaction between alkynyl-Fischer carbene complexes and tropothione

scientific article published on 16 July 2012

Regioselectivity in Diels-Alder Cycloadditions of #6094C68 Fullerene with a Triplet Ground State

scientific article published on 28 June 2019

Remote Control by π-Conjugation of the Emissive Properties of Fischer Carbene-BODIPY Dyads.

scientific article published on 3 March 2016

Rh-Catalyzed Aziridine Ring Expansions to Dehydropiperazines

scientific article published on 22 April 2020

Rhodium-catalyzed intramolecular [3+2+2] cycloadditions between alkylidenecyclopropanes, alkynes, and alkenes

scientific article published on 17 July 2014

Ring Expansion of Bicyclic Methyleneaziridines via Concerted, Near-Barrierless [2,3]-Stevens Rearrangements of Aziridinium Ylides

scientific article published on 17 July 2018

Site-selective Synthesis of β-[70]PCBM-like Fullerenes: Efficient Application in Perovskite Solar Cells

scientific article published on 29 January 2019

Stable pentacoordinate carbocations: structure and bonding

scientific article published on 01 January 2007

Stereodivergent-at-Metal Synthesis of [60]Fullerene Hybrids.

scientific article published on 16 January 2017

Stereoelectronic effects on type I 1,2-dyotropic rearrangements in vicinal dibromides

scientific article published on 01 August 2006

Stereoselective synthesis of strained cage compounds via gold-catalyzed allene functionalization

scientific article published on 01 August 2016

Striking Alkenol Versus Allenol Reactivity: Metal-Catalyzed Chemodifferentiating Oxycyclization of Enallenols

scientific article published on 01 December 2011

Structural evidence for antiaromaticity in free boroles

scientific article published on 01 January 2008

Study of the ESI-mass spectrometry ionization mechanism of Fischer carbene complexes.

scientific article published in June 2005

Substituent effects on "hyperconjugative" aromaticity and antiaromaticity in planar cyclopolyenes

scientific article published on 31 May 2013

Synthesis and Electrochemical Properties of Novel Tetrametallic Macrocyclic Fischer Carbene Complexes ⬇️

scientific article published on April 17, 2003

Synthesis and Reactivity Studies of Amido-Substituted Germanium(I)/Tin(I) Dimers and Clusters

scientific article published on 13 December 2018

Synthesis and characterisation of [6]-azaosmahelicenes: the first d4-heterometallahelicenes

scientific article published on 20 April 2012

Synthesis and electronic structure of a ferroborirene

scientific article published on 01 January 2007

Synthesis of Oxaspiranic Compounds through [3 + 2] Annulation of Cyclopropenones and Donor–Acceptor Cyclopropanes

scientific article published on 29 December 2014

Synthesis of a Helical Bilayer Nanographene.

scientific article published on 15 February 2018

Synthesis of the tetracyclic ABCD ring systems of madangamines D-F.

scientific article published on 21 January 2015

Synthesis, structure, and electronic properties of extended π-conjugated Group 6 Fischer alkoxy-bis(carbene) complexes.

scientific article

Systematic Modulation of the Fluorescence Brightness in Boron-Dipyrromethene (BODIPY)-Tagged N-Heterocyclic Carbene (NHC)-Gold-Thiolates.

scientific article

The activation strain model and molecular orbital theory: understanding and designing chemical reactions

scientific article published on 04 April 2014

The effect of the metal fragment on the aromaticity and synchronicity of the gold(i)-catalysed divinylcyclopropane–cycloheptadiene rearrangement

scientific article published on 01 April 2016

The electronic structure and photochemistry of group 6 bimetallic (Fischer) carbene complexes: beyond the photocarbonylation reaction.

scientific article published in June 2010

The interplay between steric and electronic effects in S(N)2 reactions

scientific article published on 01 January 2009

The photochemical reaction of vinylaziridines and vinylazetidines with chromium(0) and molybdenum(0) (Fischer) carbene complexes.

scientific article published on 16 December 2013

The photochemical reactivity of the "photo-inert" tungsten (Fischer) carbene complexes

scientific article published on 01 December 2005

Transition metal-catalysed (4 + 3) cycloaddition reactions involving allyl cations

scientific article published on 07 December 2011

Transmetalation reactions from Fischer carbene complexes to late transition metals: a DFT study

scientific article published on 01 January 2008

Trapping intermediates in an [8 + 2] cycloaddition reaction with the help of DFT calculations

scientific article published on 11 May 2011

Tuning the photophysical properties of BODIPY molecules by π-conjugation with Fischer carbene complexes.

scientific article

Twelve one-electron ligands coordinating one metal center: structure and bonding of [Mo(ZnCH3)9(ZnCp*)3]

scientific article published on 01 January 2008

Type-I Dyotropic Reactions: Understanding Trends in Barriers

scientific article published on 22 August 2012

Understanding exo-selective Diels-Alder reactions involving Fischer-type carbene complexes

scientific article published on 01 March 2019

Understanding the Oxidative Addition of σ-Bonds to Group 13 Compounds.

scientific article published on 21 July 2016

Understanding the Reactivity of Endohedral Metallofullerenes: C78versus Sc3N@C78

scientific article published on 25 February 2015

Understanding the Reactivity of Ion-Encapsulated Fullerenes.

scientific article published on 9 May 2017

Understanding the Reactivity of Neutral Geminal Group 14 Element/Phosphorus Frustrated Lewis Pairs

scientific article published on 13 November 2019

Understanding the Reactivity of Planar Polycyclic Aromatic Hydrocarbons: Towards the Graphene Limit.

scientific article published on 15 June 2016

Unexpected reaction pathways in the reaction of alkoxyalkynylchromium(0) carbenes with aromatic dinucleophiles.

scientific article published in October 2003

Unusual Metal-Metal Bonding in a Dinuclear Pt-Au Complex: Snapshot of a Transmetalation Process.

scientific article published on 25 April 2016

Unveiling the uncatalyzed reaction of alkynes with 1,2-dipoles for the room temperature synthesis of cyclobutenes

scientific article published on 01 February 2015

Why Cyclooctatetraene Is Highly Stabilized: The Importance of "Two-Way" (Double) Hyperconjugation

scientific article published on 15 March 2012

Why Do Cycloaddition Reactions Involving C60Prefer [6,6] over [5,6] Bonds?

scientific article published on 10 April 2013

π-Extended Corannulene-Based Nanographenes: Selective Formation of Negative Curvature

scientific article published on 29 November 2018

σ-Hole···π and lone pair···π interactions in benzylic halides.

scientific article published on June 2015

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