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Romuald Poteau

23
Documents

Présentation

I am Professor of Physical and Theoretical Chemistry at the [Paul Sabatier University](http://www.univ-tlse3.fr/) of Toulouse, in the[ Laboratory of Physics and Chemistry of Nano-Objets (LPCNO)](http://lpcno.insa-toulouse.fr/?lang=en). In 1993 I received a PhD in theoretical chemistry from the same university. From 1997 to 1999 I occupied a two-year full-time research position at the CNRS, dedicated to the development of molecular pseudopotentials. In 2002, I obtained the so-called Habilitation à Diriger des Recherches, entitled “Functional chemical groups: actors or spectators?”. Among other responsibilities, I am the current head of the Physical and Chemical Modeling group of this laboratory, since 2007, member of the executive committee of the [NEXT project](http://www.next-toulouse.eu/), and head of the new NanoX Graduate School of Research in Toulouse. My research interests include Metal clusters and Nanoclusters, Coordination Chemistry and Theoretical Inorganic Chemistry, Peptidomimetic Compounds, Global Optimization Methods, Molecular Pseudopotentials, Spectroscopic Properties of Large Molecules, mainly using DFT methods. These last years, I am attempting to bridging the gap between molecular inorganic chemistry and nanochemistry.

Publications

iker-del-rosal
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Ruthenium icosahedra and ultrathin platelets: the role of surface chemistry on the nanoparticle structure

Raj Kumar Ramamoorthy , Katerina Soulantica , Iker Del rosal , Raul Arenal , Philippe Decorse
Chemistry of Materials, 2022, 34 (7), pp.2931-2944. ⟨10.1021/acs.chemmater.1c03452⟩
Article dans une revue hal-03644170v1

Ruthenium nanoparticles canopied by heptagon-containing saddle-shaped nanographenes as efficient aromatic hydrogenation catalysts

Christian Cerezo-Navarrete , Arthur David , Adrián García-Zaragoza , Marcos Codesal , Pascual Oña-Burgos
Chemical Science, 2022, 13 (44), pp.13046-13059. ⟨10.1039/d2sc04228b⟩
Article dans une revue hal-04104569v1
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Bimetallic RuNi nanoparticles as catalysts for upgrading biomass

Miquel Cardona-Farreny , Pierre Lecante , Jerome Esvan , Chiara Dinoi , Iker Del rosal
Green Chemistry, 2021, 23 (21), pp.8480-8500. ⟨10.1039/D1GC02154K⟩
Article dans une revue hal-03412846v1

Surface reactions of ammonia on ruthenium nanoparticles revealed by 15 N and 13 C solid-state NMR

Niels Rothermel , Hans-Heinrich Limbach , Iker del Rosal , Romuald Poteau , Gabriel Mencia
Catalysis Science & Technology, 2021, 11 (13), pp.4509-4520. ⟨10.1039/d0cy02476g⟩
Article dans une revue hal-04222858v1
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Hydrogen isotope exchange catalyzed by Ru nanocatalysts: labelling of complex molecules containing N-heterocycles and reaction mechanism insights

Viktor Pfeifer , Marie Certiat , Donia Bouzouita , Alberto Palazzolo , Sébastien Garcia-Argote
Chemistry - A European Journal, 2020, 26, pp.4988-4996. ⟨10.1002/chem.201905651⟩
Article dans une revue cea-02487414v1
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How Cu I and Na I Interact with Faujasite Zeolite? A Theoretical Investigation

Hugo Petitjean , Christine Lepetit , Zalfa Nour , Romuald Poteau , Iker Del rosal
Journal of Physical Chemistry C, 2020, 124 (51), pp.28026-28037. ⟨10.1021/acs.jpcc.0c06862⟩
Article dans une revue hal-03117227v1

Catalysis to discriminate single atoms from subnanometric ruthenium particles in ultra-high loading catalysts

Camila Rivera‐cárcamo , Faqiang Leng , I.C. Gerber , Iker Del rosal , Romuald Poteau
Catalysis Science & Technology, 2020, 10 (14), pp.4673-4683. ⟨10.1039/D0CY00540A⟩
Article dans une revue hal-02904642v1
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When organophosphorus ruthenium complexes covalently bind to ruthenium nanoparticles to form nanoscale hybrid materials

Elena Martín Morales , Yannick Coppel , Pierre Lecante , Iker Del rosal , Romuald Poteau
Chemical Communications, 2020, 56 (29), pp.4059-4062. ⟨10.1039/d0cc00442a⟩
Article dans une revue hal-02569549v1
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3D Ruthenium Nanoparticle Covalent Assemblies from Polymantane Ligands for Confined Catalysis

Yuanyuan Min , Houssein Nasrallah , Didier Poinsot , Pierre Lecante , Yann Tison
Chemistry of Materials, 2020, 32 (6), pp.2365-2378. ⟨10.1021/acs.chemmater.9b04737⟩
Article dans une revue hal-02541912v1
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Carboxylic acid-capped ruthenium nanoparticles: experimental and theoretical case study with ethanoic acid

Roberto Gonzalez-Gomez , Lucy Cusinato , Christian Bijani , Yannick Coppel , Pierre Lecante
Nanoscale, 2019, 11 (19), pp.9392-9409. ⟨10.1039/c9nr00391f⟩
Article dans une revue hal-02131929v1
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DFT calculations in periodic boundary conditions of gas-phase acidities and of transition-metal anionic clusters: case study with carboxylate-stabilized ruthenium clusters

Roberto Gonzalez-Gomez , Iker Del rosal , Karine Philippot , Romuald Poteau
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2019, 138 (8), pp.95. ⟨10.1007/s00214-019-2484-4⟩
Article dans une revue hal-02388707v1
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Surprising Differences of Alkane C‐H Activation Catalyzed by Ruthenium Nanoparticles: Complex Surface‐Substrate Recognition?

Niels Rothermel , Donia Bouzouita , Tobias Röther , Torsten Gutmann , Iker Del rosal
ChemCatChem, 2018, 10 (19), pp.4243-4247. ⟨10.1002/cctc.201801022⟩
Article dans une revue hal-02296026v1
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Zwitterionic amidinates as effective ligands for platinum nanoparticle hydrogenation catalysts

Luis Miguel Martinez-Pietro , Israel Cano , A. Marquez , Edwin A Baquero , Simon Tricard
Chemical Science, 2017, 8 (4), pp.2931-2941. ⟨10.1039/C6SC05551F⟩
Article dans une revue hal-01940898v1
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Shape, electronic structure and steric effects of organometallic nanocatalysts: relevant tools to improve the synergy between theory and experiment

Lucy Cusinato , Iker Del rosal , Romuald Poteau
Dalton Transactions, 2017, 46 (2), pp.378-395. ⟨10.1039/C6DT04207D⟩
Article dans une revue hal-01961183v1

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

Lucy Cusinato , Luis Miguel Martinez-Pietro , Bruno Chaudret , Iker Del rosal , Romuald Poteau
Nanoscale, 2016, 8 (21), pp.10974-10992
Article dans une revue hal-01960027v1

Yttrium Dihydride Cation [YH 2 (THF) 2 ] + n : Aggregate Formation and Reaction with (NNNN)-Type Macrocycles

Stefan Arndt , Mathias Kramer , Waldemar Fegler , Yumiko Nakajima , Iker Del rosal
Organometallics, 2015, 34 (15), pp.3739-3747
Article dans une revue hal-01969418v1

Enantiospecific C-H activation using ruthenium nanocatalysts

Céline Taglang , Luis Miguel Martinez-Pietro , Iker Del rosal , Laurent Maron , Romuald Poteau
Angewandte Chemie International Edition, 2015, 54 (36), pp.10474-10477. ⟨10.1002/anie.201504554⟩
Article dans une revue hal-01920824v1
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Grafting of lanthanide complexes on silica surfaces dehydroxylated at 200 °C: a theoretical investigation

Iker Del rosal , I.C. Gerber , Romuald Poteau , Laurent Maron
New Journal of Chemistry, 2015, 39 (10), pp.7703-7715
Article dans une revue hal-01969145v1
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Ligand-Field Theory-Based Analysis of the Adsorption Properties of Ruthenium Nanoparticles

Iker Del rosal , Maxime Mercy , I.C. Gerber , Romuald Poteau
ACS Nano, 2013, ⟨10.1021/nn403364p⟩
Article dans une revue hal-02366322v1
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Multicentered effective group potentials: ligand-field effects in organometallic clusters and dynamical study of chemical reactivity

Christophe Raynaud , Iker Del rosal , Franck Jolibois , Laurent Maron , Romuald Poteau
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2010, 126 (3-4), pp.151-163. ⟨10.1007/s00214-009-0615-z⟩
Article dans une revue hal-00493604v1

Hydrido-Ruthenium Cluster Complexes as Models for Reactive Surface Hydrogen Species of Ruthenium Nanoparticles. Solid-State 2 H NMR and Quantum Chemical Calculations

Torsten Gutmann , Bernadeta Walaszek , Xu Yeping , Maria Wächtler , Iker Del rosal
Journal of the American Chemical Society, 2010, 132 (33), pp.11759-11767. ⟨10.1021/ja104229a⟩
Article dans une revue hal-02350833v1