List of works - Jorge J. Carbó

9-Cobalt(II)-Containing 27-Tungsto-3-germanate(IV): Synthesis, Structure, Computational Modeling, and Heterogeneous Water Oxidation Catalysis

scientific article published on 14 August 2019

A Bridging bis-Allyl Titanium Complex: Mechanistic Insights into the Electronic Structure and Reactivity

scientific article published on 26 August 2019

A clear-cut example of selective Bpin-Bdan activation and precise Bdan transfer on boron conjugate addition

scientific article published on 24 February 2014

A fast metal–metal bonded water oxidation catalyst

Addition of Terminal Alkynes to a Molecular Titanium–Zinc Nitride

article

Aerobic carbon-carbon bond cleavage of alkenes to aldehydes catalyzed by first-row transition-metal-substituted polyoxometalates in the presence of nitrogen dioxide

scientific article published on 23 July 2014

Alkaline earth guests in polyoxopalladate chemistry: from nanocube to nanostar via an open-shell structure

scientific article published on 12 September 2014

Alkene Epoxidation Catalyzed by Ti-Containing Polyoxometalates: Unprecedented β-Oxygen Transfer Mechanism

scientific article published on 27 May 2016

Alkene oxidation by Ti-containing polyoxometalates. Unambiguous characterization of the role of the protonation state

scientific article published on 10 August 2012

Ammonia Activation by μ3-Alkylidyne Fragments Supported on a Titanium Molecular Oxide Model

scientific article published on 27 May 2011

Arene C(sp(2))-H Metalation at Ni(II) Modeled with a Reactive PONCPh Ligand.

scientific article published in August 2016

Assembly Mechanism of Zr-Containing and Other TM-Containing Polyoxometalates

scientific article published on 20 March 2017

Boron‐Copper 1,3‐Rearrangement: the New Concept Behind the Boryl Migration from C(sp<sup>2</sup>) in Alkenyl Boranes to C(sp<sup>3</sup>)

scientific article published in 2023

Carbon-nitrogen bond construction and carbon-oxygen double bond cleavage on a molecular titanium oxonitride: a combined experimental and computational study.

scientific article published on 14 September 2015

Carbonylative Cycloaddition of Allyl Halides and Acetylenes Promoted by Ni(CO)4. A DFT Study on the Reaction Mechanism

Catalytic non-conventional trans-hydroboration: a theoretical and experimental perspective

scientific article published on 30 December 2011

Cobalt polyoxometalates as heterogeneous water oxidation catalysts.

scientific article published on 23 April 2013

Consecutive borylcupration/C-C coupling of γ-alkenyl aldehydes towards diastereoselective 2-(borylmethyl)cycloalkanols

scientific article published on 29 April 2020

Construction of titanasiloxanes by incorporation of silanols to the metal oxide model [(Ti(eta 5-C5Me5)(mu-O))3(mu3-CR)]: DFT elucidation of the reaction mechanism

scientific article published in January 2008

Correction: Unsymmetrical 1,1-diborated multisubstituted sp(3)-carbons formed via a metal-free concerted-asynchronous mechanism.

scientific article published on 17 November 2015

Current trends in the computational modelling of polyoxometalates

Disclosing the structure/activity correlation in trivalent boron-containing compounds: a tendency map

scientific article published on 30 August 2012

Discovering the chemical reactivity of the molecular oxonitride [{Ti(η5-C5Me5)(μ-O)}3(μ3-N)]

Discrete Silver(I)-Palladium(II)-Oxo Nanoclusters, {Ag4 Pd13 } and {Ag5 Pd15 }, and the Role of Metal-Metal Bonding Induced by Cation Confinement

scientific article published on 29 November 2016

Epoxidation of Alkenes with H2O2 Catalyzed by Dititanium-Containing 19-Tungstodiarsenate(III): Experimental and Theoretical Studies

Facile Synthesis of Alkynyl− and Vinylidene−Niobocene Complexes. Unexpected η1-Vinylidene−η2-Alkyne Isomerization

scientific article published in May 2000

First X-ray characterization and theoretical study of pi-alkyne, alkynyl-hydride, and vinylidene isomers for the same transition metal fragment [Cp*Ru(PEt3)2]+

scientific article published on 01 March 2003

How Does the Redox State of Polyoxovanadates Influence the Collective Behavior in Solution? A Case Study with [I@V18O42]q− (q = 3, 5, 7, 11, and 13)

scientific article published on 04 March 2019

Influence of polyoxometalate ligands on the nature of high-valent transition metal nitrido species. A theoretical analysis of experimentally known and unprecedented compounds

scientific article published on 07 August 2008

Influence of the Nature of the Ligand on Dirhodium(II) Carbene Species: A Theoretical Analysis

scientific article published in June 2008

Lewis base behavior of bridging nitrido ligands of titanium polynuclear complexes.

scientific article published in November 2009

Mechanism of thioether oxidation over di- and tetrameric ti centres: kinetic and DFT studies based on model Ti-containing polyoxometalates

scientific article published on 13 August 2015

Mechanistic Insights into Alkene Epoxidation with H2O2by Ti- and other TM-Containing Polyoxometalates: Role of the Metal Nature and Coordination Environment

scientific article published on 01 June 2010

Mixed diboration of alkenes in a metal-free context

scientific article published on 01 January 2015

Modeling the Oxygen Vacancy at a Molecular Vanadium(III) Silica-Supported Catalyst

scientific article published in 2018

Nature of Zr-monosubstituted monomeric and dimeric polyoxometalates in water solution at different pH conditions: static density functional theory calculations and dynamic simulations

scientific article published on 24 December 2013

New quantum mechanics-based three-dimensional molecular descriptors for use in QSSR approaches: application to asymmetric catalysis

scientific article published on 26 October 2007

On the Origin of Alternating Bond Distortions and the Emergence of Chirality in Polyoxometalate Anions

scientific article published on 04 June 2008

Origin of stereoinduction by chiral aminophosphane phosphinite ligands in enantioselective catalysis: asymmetric hydroformylation.

scientific article published in February 2006

Palladium complexes of a phosphorus ylide with two stabilizing groups: synthesis, structure, and DFT study of the bonding modes

scientific article published on 01 August 2006

Palladium-NHC complexes do catalyse the diboration of alkenes: mechanistic insights

scientific article published on 01 August 2007

Pd-catalysed mono- and dicarbonylation of aryl iodides: insights into the mechanism and the selectivity

scientific article published on 22 July 2014

Peptide Hydrolysis by Metal (Oxa)cyclen Complexes: Revisiting the Mechanism and Assessing Ligand Effects

scientific article published on 07 January 2021

Photoreduction Mechanism of CO2 to CO Catalyzed by a Rhenium(I)–Polyoxometalate Hybrid Compound

scholarly article by Chenggang Ci et al published 30 August 2016 in ACS Catalysis

Polyoxometalate electrocatalysts based on earth-abundant metals for efficient water oxidation in acidic media.

scientific article

Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n− (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32–, PhPO32–, SeO32–)

scientific article published on 29 November 2012

Polyoxopalladates encapsulating yttrium and lanthanide ions, [X(III)Pd(II)12(AsPh)8O32]5- (X=Y, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu).

scientific article published in August 2010

Predicting the enantioselectivity of the copper-catalysed cyclopropanation of alkenes by using quantitative quadrant-diagram representations of the catalysts

scientific article published on 17 September 2012

Probing Polyoxometalate-Protein Interactions Using Molecular Dynamics Simulations.

scientific article published on 17 August 2016

Quantifying the Donor−Acceptor Properties of Phosphine and N-Heterocyclic Carbene Ligands in Grubbs’ Catalysts Using a Modified EDA Procedure Based on Orbital Deletion

Quantitative Structure-Activity Relationships for the Nucleophilicity of Trivalent Boron Compounds.

scientific article published on 8 February 2017

Real-time molecular scale observation of crystal formation

scientific article published on 28 November 2016

Redox-Active Behavior of the [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand

scientific article published on 01 May 2013

Relevance of Protons in Heterolytic Activation of H2O2 over Nb(V): Insights from Model Studies on Nb-Substituted Polyoxometalates

Self-Consistency versus “Best-Fit” Approaches in Understanding the Structure of Metal Nitrosyl Complexes

Self-assembly study of nanometric spheres from polyoxometalate-phenylalanine hybrids, an experimental and theoretical approach

scientific article published on 01 May 2018

Size and charge effect of guest cations in the formation of polyoxopalladates: a theoretical and experimental study.

scientific article published on 25 September 2017

Strong 1,4-P-O intramolecular interactions as a source of conformational preferences in alpha-stabilized phosphorus ylides

scientific article published on 01 September 2001

Structure, properties and reactivity of polyoxometalates: a theoretical perspective ⬇️

scientific article published on August 10, 2012

The rate-determining step in the rhodium-xantphos-catalysed hydroformylation of 1-octene.