List of works - Iker del Rosal

17O MAS NMR studies of oxo-based olefin metathesis catalysts: a critical assessment of signal enhancement methods

scientific article published on 01 October 2016

2H NMR calculations on polynuclear transition metal complexes: on the influence of local symmetry and other factors

scientific article published on 12 October 2011

Carboxylic acid-capped ruthenium nanoparticles: experimental and theoretical case study with ethanoic acid

scientific article published on 01 May 2019

DFT calculations of 1H and 13C NMR chemical shifts in transition metal hydrides.

scientific article published on 7 May 2008

DFT study of the Ring Opening Polymerization of ε-caprolactone by grafted lanthanide complexes: 1—Effect of the grafting mode on the reactivity of borohydride complexes

scientific article published on 20 September 2011

DFT study of the Ring Opening Polymerization of ε-caprolactone by grafted lanthanide complexes: 2—Effect of the initiator ligand

scientific article published on 14 September 2011

Effects of the Grafting of Lanthanum Complexes on a Silica Surface on the Reactivity: Influence on Ethylene, Propylene, and 1,3-Butadiene Homopolymerization

scientific article published on 2 August 2016

Enantiospecific C-H Activation Using Ruthenium Nanocatalysts

scientific article published in September 2015

From molecular complexes to complex metallic nanostructures--2H solid-state NMR studies of ruthenium-containing hydrogenation catalysts.

scientific article published on 9 May 2013

Gold(I)-Catalysed Asymmetric Hydroamination of Alkenes: A Silver- and Solvent-Dependent Enantiodivergent Reaction.

scientific article

Heteronuclear NMR spectroscopy as a surface-selective technique: a unique look at the hydroxyl groups of γ-alumina

scientific article published on 06 March 2014

Hydrido-Ruthenium Cluster Complexes as Models for Reactive Surface Hydrogen Species of Ruthenium Nanoparticles. Solid-State2H NMR and Quantum Chemical Calculations

article

Ligand effect on the NMR, vibrational and structural properties of tetra- and hexanuclear ruthenium hydrido clusters: a theoretical investigation.

scientific article published on 3 February 2009

Ligand-Field Theory-Based Analysis of the Adsorption Properties of Ruthenium Nanoparticles

scientific article published on 09 October 2013

Mechanistic Aspects of the Polymerization of Lactide Using a Highly Efficient Aluminum(III) Catalytic System

scientific article

Mechanistic investigations via DFT support the cooperative heterobimetallic C-H and O-H bond activation across Ta[double bond, length as m-dash]Ir multiple bonds

scientific article published on 19 November 2020

Metallacyclic yttrium alkyl and hydrido complexes: synthesis, structures and catalytic activity in intermolecular olefin hydrophosphination and hydroamination

scientific article published on 24 February 2015

Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers

PMLABe Diol Synthesized by Ring-Opening Polymerization of Racemic Benzyl β-Malolactonate Initiated by Rare-Earth Trisborohydride Complexes: An Experimental and DFT Study

scientific article published on 11 September 2014

Rare-Earth Metal Alkyl and Hydride Complexes Stabilized by a Cyclen-Derived [NNNN] Macrocyclic Ancillary Ligand

scientific article published on 08 May 2008

Shape, electronic structure and steric effects of organometallic nanocatalysts: relevant tools to improve the synergy between theory and experiment.

scientific article published on 9 December 2016

Small changes have consequences: lessons from tetrabenzyltitanium and -zirconium surface organometallic chemistry.

scientific article published on 26 November 2012

Speciation of [Cp*(2)M(2)O(5)] in polar and donor solvents.

scientific article

The Nature of Secondary Interactions at Electrophilic Metal Sites of Molecular and Silica-Supported Organolutetium Complexes from Solid-State NMR Spectroscopy

scientific article

Theoretical characterization of the surface composition of ruthenium nanoparticles in equilibrium with syngas

scientific article

To Bend or Not To Bend: Experimental and Computational Studies of Structural Preference in Ln(TpiPr2)2 (Ln = Sm, Tm)

scientific article published on 27 October 2014

Where does Hydrogen Adsorb on Ru Nanoparticles? A Powerful Joint2H MAS-NMR/DFT Approach

scientific article published on 01 December 2009

Zwitterionic amidinates as effective ligands for platinum nanoparticle hydrogenation catalysts.

scientific article published on February 2017

List of works by Iker del Rosal

17O MAS NMR studies of oxo-based olefin metathesis catalysts: a critical assessment of signal enhancement methods

2H NMR calculations on polynuclear transition metal complexes: on the influence of local symmetry and other factors

Carboxylic acid-capped ruthenium nanoparticles: experimental and theoretical case study with ethanoic acid

DFT calculations of 1H and 13C NMR chemical shifts in transition metal hydrides.

DFT study of the Ring Opening Polymerization of ε-caprolactone by grafted lanthanide complexes: 1—Effect of the grafting mode on the reactivity of borohydride complexes

DFT study of the Ring Opening Polymerization of ε-caprolactone by grafted lanthanide complexes: 2—Effect of the initiator ligand

Effects of the Grafting of Lanthanum Complexes on a Silica Surface on the Reactivity: Influence on Ethylene, Propylene, and 1,3-Butadiene Homopolymerization

Enantiospecific C-H Activation Using Ruthenium Nanocatalysts

From molecular complexes to complex metallic nanostructures--2H solid-state NMR studies of ruthenium-containing hydrogenation catalysts.

Gold(I)-Catalysed Asymmetric Hydroamination of Alkenes: A Silver- and Solvent-Dependent Enantiodivergent Reaction.

Heteronuclear NMR spectroscopy as a surface-selective technique: a unique look at the hydroxyl groups of γ-alumina

Hydrido-Ruthenium Cluster Complexes as Models for Reactive Surface Hydrogen Species of Ruthenium Nanoparticles. Solid-State2H NMR and Quantum Chemical Calculations

Ligand effect on the NMR, vibrational and structural properties of tetra- and hexanuclear ruthenium hydrido clusters: a theoretical investigation.

Ligand-Field Theory-Based Analysis of the Adsorption Properties of Ruthenium Nanoparticles

Mechanistic Aspects of the Polymerization of Lactide Using a Highly Efficient Aluminum(III) Catalytic System

Mechanistic investigations via DFT support the cooperative heterobimetallic C-H and O-H bond activation across Ta[double bond, length as m-dash]Ir multiple bonds

Metallacyclic yttrium alkyl and hydrido complexes: synthesis, structures and catalytic activity in intermolecular olefin hydrophosphination and hydroamination

Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers

PMLABe Diol Synthesized by Ring-Opening Polymerization of Racemic Benzyl β-Malolactonate Initiated by Rare-Earth Trisborohydride Complexes: An Experimental and DFT Study

Rare-Earth Metal Alkyl and Hydride Complexes Stabilized by a Cyclen-Derived [NNNN] Macrocyclic Ancillary Ligand

Shape, electronic structure and steric effects of organometallic nanocatalysts: relevant tools to improve the synergy between theory and experiment.

Small changes have consequences: lessons from tetrabenzyltitanium and -zirconium surface organometallic chemistry.

Speciation of [Cp*(2)M(2)O(5)] in polar and donor solvents.

The Nature of Secondary Interactions at Electrophilic Metal Sites of Molecular and Silica-Supported Organolutetium Complexes from Solid-State NMR Spectroscopy

Theoretical characterization of the surface composition of ruthenium nanoparticles in equilibrium with syngas

To Bend or Not To Bend: Experimental and Computational Studies of Structural Preference in Ln(TpiPr2)2 (Ln = Sm, Tm)

Where does Hydrogen Adsorb on Ru Nanoparticles? A Powerful Joint2H MAS-NMR/DFT Approach

Zwitterionic amidinates as effective ligands for platinum nanoparticle hydrogenation catalysts.