Small Molecules Activation (Team N)

LCC

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Overview

The “Small Molecules Activation” team brings together 3 researchers and 1 assistant-professor around themes mainly centered on the coordination and organometallic chemistry of a wide range of transition metals.

We apply it to the activation and valorization of small molecules (H2, CO2, N2, CH4, N2O, etc.), sometimes in combination with main-group chemistry: boron, silicon or fluorine also take their place in the portfolio of elements whose reactivity we study.

The team is committed to pushing its discoveries towards technologies related to health, materials, energy and fine chemicals.

Members of the team

All
Chargé de Recherche CNRS

BONTEMPS Sébastien
Chargé de Recherche CNRS, HDR

SIMONNEAU Antoine
Chargé de Recherche CNRS

QUEYRIAUX Nicolas
Maître de conférences

GRELLIER Mary
Chargé de Recherche CNRS

LORBER Christian
Assistant engineer

MARTIN-MOTHES Emmanuelle
Chercheur post-doctoral

ESCOMEL Léon
PhD student

ESTIVAL Arno
PhD student

GONÇALVES Caroline
PhD student

MARTINS-BESSA David
PhD student

ORELLANA BEN AMOR Andrea
Chargé de Recherche CNRS

BONTEMPS Sébastien

Numéro ORCID : 0000-0002-4950-9452

After undergraduate studies at the University of Bordeaux where I worked in the lab of Prof. Y. Landais and spent few months as Erasmus student in the lab of Prof. H. Brintzinger at the University of Konstanz, Germany, I moved to the University Paul Sabatier in Toulouse in 2003 for my PhD. I worked under the guidance of Prof. R. Bouhadir and Prof. D. Bourissou on the synthesis and coordination chemistry of mono-, di-, and tri-phosphine-borane compounds showing in particular direct metal→borane interaction. After graduating in 2006, I did a postdoc in 2007-2008 with Prof. R. Jordan at the University of Chicago studying elementary steps of olefin/CO copolymerization with Pd(phosphine-sulfonate) catalysts, and in McGill University in Montreal in 2008-2009 in the team of Prof. B. Arndtsen on palladium-catalyzed one-pot multicomponent synthesis of heterocycles. I then moved back to Toulouse as Chargé de Recherche in 2009 to work in LCC. Since then, I am developing researches directed at CO2 transformations using boranes or silanes and at the synthesis of new first row metal complexes.

Email:sebastien.bontemps(at)lcc-toulouse.fr

Téléphone:+33 5 61 33 31 77

Equipe:N

Bureau:G277

Chargé de Recherche CNRS, HDR

SIMONNEAU Antoine

ORCID Number: 0000-0003-4612-284X

After studying at Chimie ParisTech and Sorbonne University, Antoine completed his PhD under the supervision of Profs. M. Malacria and L. Fensterbank (2008–2012). He earned the Springer thesis prize for his work on gold catalysis. He continued his training with a post-doctoral internship at the Technical University of Berlin under the direction of Prof. M. Oestreich (2012–2015), thanks to a fellowship from the Alexander von Humboldt Foundation. At the end of 2015, he joined the team of Prof. M. Etienne at LCC as a CNRS researcher to begin a project tackling the transformation of N2. In 2017, he obtained a Starting Grant from the European Research Council (ERC). Since 2018, he has been co-managing the team “Activation of Small Molecules” with Dr. Sébastien Bontemps. In 2022, the Institute of Chemistry of Toulouse awarded him the “Young Researcher” prize and in 2024, he received the Young Researcher Award of the Coordination Chemistry Division of the French Chemical Society.

Email:antoine.simonneau(at)lcc-toulouse.fr

Téléphone:+33 5 61 33 31 44

Bureau:B119

Equipe:N

Chargé de Recherche CNRS

QUEYRIAUX Nicolas

Email:nicolas.queyriaux(at)lcc-toulouse.fr

Phone:05.61.33.32.06

Office:B111

Team:N

Maître de conférences

GRELLIER Mary

Numéro ORCID : 0000-0002-1823-3086

Mes recherches concernent tous les aspects de la chimie des métaux de transition afin de trouver de nouvelles réactions catalytiques et de comprendre les mécanismes réactionnels associés. Une attention particulière est portée à la caractérisation des modes de coordination inhabituels tels que les systèmes 2 électrons-3 centres. Une des applications potentielles de cette recherche est le stockage de réversible d’hydrogène.

Email:mary.grellier(at)lcc-toulouse.fr

Téléphone:05.61.33.31.77

Bureau:G273

Equipe:N

Chargé de Recherche CNRS

LORBER Christian

CV de Christian Lorber (PDF)

 

Email:christian.lorber(at)lcc-toulouse.fr

Téléphone:05.61.33.31.44

Bureau:B119

Equipe:N

Assistant engineer

MARTIN-MOTHES Emmanuelle

Assistant engineer at LCC, my main mission is the synthesis of new molecules.

I have two specialties:

  • Organic syntheses (dendrimers, porphyrins, therapeutic molecules)
  • Organometallic chemistry, with the design of organophosphate and organobor ligands, metallic precursors and catalysis

I intervene in the teams «Activation of Small Molecules» (team N) and «Dendrimere and Heterochemistry» (team M).

Also, I manage the LCC chemolibrary.

Email:emmanuelle.mothes(at)lcc-toulouse.fr

Phone:05.61.33.32.33. et 05.61.33.31.89.

Office:G081/G275

Team:M/N

Chercheur post-doctoral

ESCOMEL Léon

Numéro ORCID : 0000-0001-7744-1048

After obtaining a MSc degree at Ecole Normale Supérieure de Lyon in 2018, I did a 6-month research stay in New Zealand in the research group of Pr. Sally Brooker. There, I worked on the development of terpyridine-triazole ligands used for the assembly of Ru and Fe centers. Then, I came back to Lyon in 2019 where I started a PhD project under the supervision of Dr. Clément Camp and Dr. Chloé Thieuleux in the CP2M laboratory. My thesis was about the design and reactivity of homogeneous and surface-supported Al/Ir heterobimetallic complexes for cooperative catalysis. Now (since January 2023) I am working as a post-doc in the team of Dr Antoine Simonneau at LCC/Toulouse on Push-Pull Systems For N2 Activation.

Email:leon.escomel(at)lcc-toulouse.fr

Téléphone:+33 5 61 33 31 35

Bureau:B109

Equipe:N

PhD student

ESTIVAL Arno

Email:arno.estival(at)lcc-toulouse.fr

Phone:05.61.33.31.35

Office:B109

Team:N

PhD student

GONÇALVES Caroline

Email:caroline.goncalves(at)lcc-toulouse.fr

Phone:05.61.33.31.80

Office:G277

Team:N

PhD student

MARTINS-BESSA David

Email:david.martins-bessa(at)lcc-toulouse.fr

Phone:05.61.33.31.80

Office:G277

Team:N

PhD student

ORELLANA BEN AMOR Andrea

Email:andrea.orellanabenamor(at)lcc-toulouse.fr

Phone:05.61.33.32.28

Office:B231

Team:N

Research topics

Dinitrogen Activation

C–F Bond Activation

CO2 Valorization

Hydrogen : catalysis for storage and fine chemicals

Polymerization

Ligand design

Molecular Magnetism

Team news

Publications

2024

Four-electron reduction of CO2: from formaldehyde and acetal synthesis to complex transformations
Desmons S., Bonin J., Robert M., Bontemps S.
Chemical Science 2024,
http://dx.doi.org/10.1039/D4SC02888K
https://hal.science/hal-04693877

Borohydride compounds catalyze the selective 4e– reduction of CO2 with 9-BBN
Jarava-Barrera C., Desmons S., Zhang D., Vendier L., Xu Q., Ma N., Bontemps S.
The Journal of Organic Chemistry 2024, 89(17), 12187-12196.
https://doi.org/10.1021/acs.joc.4c01077
https://hal.science/hal-04693897

Seven-coordinate group 6 metal hydrides obtained by H2 activation at B(C6F5)3 adducts of N2 complexes: frustrated Lewis pair-type reactivity of the B–N linkage
Boegli M.-C., Coffinet A., Bijani C., Simonneau A.
Chemistry – An Asian Journal 2024, 19(12), e202400451/1-6.
https://doi.org/10.1002/asia.202400451
https://hal.science/hal-04633325

Coordination of Al(C6F5)3 vs. B(C6F5)3 on group 6 end-on dinitrogen complexes: chemical and structural divergences
Escomel L., Martins F. F., Vendier L., Coffinet A., Queyriaux N., Krewald V., Simonneau A.
Chemical Science 2024, 15(29), 11321-11336.
http://dx.doi.org/10.1039/D4SC02713B
https://hal.science/hal-04633385

Nitrogen fixation by manganese complexes – Waiting for the rush?
Le Dé Q., Valyaev D. A., Simonneau A.
Chemistry – A European Journal 2024, 30(39), e202400784/1-10.
https://doi.org/10.1002/chem.202400784
https://hal.science/hal-04633290

Stoichiometric and catalytic reduction of carbon dioxide by a sterically encumbered amidinato magnesium hydride
Huadsai W., Vendier L., Görls H., Magna L., Bontemps S., Westerhausen M.
European Journal of Inorganic Chemistry 2024, 27(20), e202400128/1-8.
https://doi.org/10.1002/ejic.202400128
https://hal.science/hal-04632394

Doubly base-stabilized diborane(4) and borato-boronium species and their chemistry with chalcogens
Ahmad A., Gayen S., Mishra S., Afsan Z., Bontemps S., Ghosh S.
Inorganic Chemistry 2024, 63(7), 3376-3382.
https://doi.org/10.1021/acs.inorgchem.3c03961
https://hal.science/hal-04633025

A photocatalytic approach for the synthesis of L-shape bicyclic NHC ligands
Kittikool T., Phakdeeyothin K., Morales A., Barthes C., Vendier L., Yotphan S., Bontemps S., Bastin S., Lledós A., Baslé O., César V.
ChemistryEurope 2024, 2 (2), e202300083.
https://doi.org/10.1002/ceur.202300083
https://hal.science/hal-04522291

Single electron reduction of NHC–CO2–borane compounds
Morales A., Gonçalves C., Sournia-Saquet A., Vendier L., Lledós A., Baslé O., Bontemps S.
Chemical Science 2024, 15 (9), 3165-3173.
http://dx.doi.org/10.1039/D3SC06325A
https://hal.science/hal-04502219

Metallomimetic C-F activation catalysis by simple phosphines
Bonfante S., Lorber C., Lynam J. M., Simonneau  A., Slattery J. M.
Journal of the American Chemical Society 2024, 146 (3), 2005−2014.
https://doi.org/10.1021/jacs.3c10614
https://hal.science/hal-04269048

2023

Mapping out the role of σ-silane complexes in the ruthenium-catalyzed hydrosilylation of nitriles
Chandran A., Ravel-Massol R., Vendier L., Slattery J. M., Lynam J. M., Grellier M.
Organometallics 2023, 42(21), 3153-3163.
https://doi.org/10.1021/acs.organomet.3c00397
https://hal.science/hal-04321916

An orbitally adapted push-pull template for N2 activation and reduction to diazene-diide
Specklin D., Boegli M.-C., Coffinet A., Escomel L., Vendier L., Grellier M., Simonneau A.
Chemical Science 2023, 14(48), 14262-14270.
http://dx.doi.org/10.1039/D3SC04390H
https://hal.science/hal-04299114

Alkaline earth catalyzed CO2 hydroboration into acetal derivatives leading to C–S bond formation
Huadsai W., Westerhausen M., Bontemps S.
Organometallics 2023, 42(19), 2921–2926.
https://doi.org/10.1021/acs.organomet.3c00335
https://hal.science/hal-04225915

Protonation behavior of a tetrahydrido molybdenum(IV) complex with organic and inorganic acids
Queyriaux N., Durvin N., Leon D., Boegli M.-C., Vendier L., Simonneau A.
European Journal of Inorganic Chemistry 2023, 26(33), e202300426/1-7.
https://doi.org/10.1002/ejic.202300426
https://hal.science/hal-04209769

Group IV complexes with sterically congested N-aryl-adamantylcarbamidate ligands
Kheirkhah R., Huadsai W., Liebing P., Bontemps S., Westerhausen M.
Organometallics 2023, 42(16), 2304-2311.
https://doi.org/10.1021/acs.organomet.3c00291
https://hal.science/hal-04196519

Biomimetic catalysis of nitrite reductase enzyme using copper complexes in chemical and electrochemical reduction of nitrite
Ferreira P., Castro C. B., Honorato J., He S.-Y., Gonçalves Guimarães Júnior W., Esmieu C., Castellano E. E., de Moura A. F., Truzzi D. R., Nascimento O. R., Simonneau A., Marques Netto C. G. C.
Dalton Transactions 2023, 52(32), 11254-11264.
http://dx.doi.org/10.1039/D3DT01091K
https://hal.science/hal-04197074

CO2 hydroboration: Impact of the boryl moieties on the reactivity of four bis(boryl)acetal compounds toward 2,6-diisopropylaniline
Desmons S., Zhou Y., Zhang D., Jarava-Barrera C., Coffinet A., Simonneau A., Vendier L., Luo G., Bontemps S.
European Journal of Organic Chemistry 2023, 26(30), e202300525/1-8.
https://doi.org/10.1002/ejoc.202300525
https://hal.science/hal-04169288

Synthesis and coordination of a bisphosphine-[NHC-borane] compound: A ligand framework for bimetallic structure featuring a boron-bridging moiety
Camy A., Vendier L., Bijani C., Fernández I., Bontemps S.
Inorganic Chemistry 2023, 62(23), 9035-9043.
https://doi.org/10.1021/acs.inorgchem.3c00785
https://hal.science/hal-04169429

Combined B–H and Si–H bond activations at ruthenium
Ayyappan R., Saha K., Kaur U., Gayen S., Vendier L., Sabo-Etienne S., Ghosh S., Bontemps S.
Organometallics 2023, 42(9), 752-756.
https://doi.org/10.1021/acs.organomet.3c00109
https://hal.science/hal-04169506

An experimental and computational investigation rules out direct nucleophilic addition on the N2 ligand in manganese dinitrogen complex [Cp(CO)2Mn(N2)]
Le Dé Q., Bouammali A., Bijani C., Vendier L., Del Rosal I., Valyaev D. A., Dinoi C., Simonneau A.
Angewandte Chemie International Edition 2023, 62(40), e202305235/1-10.
https://doi.org/10.1002/anie.202305235
https://hal.science/hal-04159061

Assessing combinations of B(C6F5)3 and N2-derived molybdenum nitrido complexes for heterolytic bond activation
Coffinet A., Specklin D., Le Dé Q., Bennaamane S., Muñoz L., Vendier L., Clot E., Mézailles N., Simonneau A.
Chemistry – A European Journal 2023, 29(26), e202203774/1-8.
https://doi.org/10.1002/chem.202203774
https://hal.science/hal-04007916

Syntheses of N2-bridged heterobimetallic complexes, their structural and qualitative bonding analyses
Le Dé Q., Orbay F., Vendier L., Simonneau A.
Journal of Organometallic Chemistry 2023, 986, 122604/1-7.
https://doi.org/10.1016/j.jorganchem.2022.122604
https://hal.science/hal-03955433

2022

On the energetics of binding and hydride exchange in the RuH2(H2)2[P(C5H9)3)]2 complex as revealed by inelastic neutron scattering and DFT studies
Albinati A., Grellier M., Ollivier J., Georgiev P. A.
New Journal of Chemistry 2022, 46(30), 14649-14659.
http://dx.doi.org/10.1039/D2NJ02100E
https://hal.science/hal-04669085

Catalytic addition reactions of amines, thiols, and diphenyl-phosphine oxides to heterocumulenes using a bridging Sulfonylimido titanium(IV) complex
Banerjee I., Sagar S., Lorber C., Panda T. K.
Zeitschrift fur Anorganische und Allgemeine Chemie 2022, 648(18), e202200188/1-6.
https://doi.org/10.1002/zaac.202200188
https://hal.archives-ouvertes.fr/hal-03800815

Dinitrogen-derived (diarylboryl)diazenido complexes with differing coordination to the thallium cation
Bouammali A., Coffinet A., Vendier L., Simonneau A.
Dalton Transactions 2022, 51(28), 10697-10701.
http://dx.doi.org/10.1039/D1DT03905A
https://hal.archives-ouvertes.fr/hal-03474760

Metathesis by partner interchange in σ-bond ligands: Expanding applications of the σ-CAM mechanism
Perutz R. N., Sabo-Etienne S., Weller A. S.
Angewandte Chemie, International Edition 2022, 61(5), e202111462/1-22.
https://doi.org/10.1002/anie.202111462
https://hal.archives-ouvertes.fr/hal-03670324

A masked form of an O-borylated Breslow intermediate for the diastereoselective FLP-type activation of aldehydes
Mejia Fajardo A., Queyriaux N., Camy A., Vendier L., Grellier M., del Rosal I., Maron L., Bontemps S.
Chemistry – A European Journal 2022, 28(10), e202104122/1-5.
https://doi.org/10.1002/chem.202104122
https://hal.archives-ouvertes.fr/hal-03669849

2021

Selective reductive dimerization of CO2 into glycolaldehyde
Zhang D., Jarava-Barrera C., Bontemps S.
ACS Catalysis 2021, 11(8), 4568-4575.
https://doi.org/10.1021/acscatal.1c00412
https://hal.archives-ouvertes.fr/hal-03231103

Cooperative B–H and Si–H Bond Activations by κ2–N,S-Chelated Ruthenium Borate Complexes
Zafar M., Ramalakshmi R., Ahmad A., Antharjanam P. K. S., Bontemps S., Sabo-Etienne S., Ghosh S.
Inorganic Chemistry 2021, 60(2), 1183-1194.
https://doi.org/10.1021/acs.inorgchem.0c03306
https://hal.archives-ouvertes.fr/hal-03150014

Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR3)2] (M = Cr–Co) – structural diversity, solution state behaviour and reactivity
Weller R., Müller I., Duhayon C., Sabo-Etienne S., Bontemps S., Werncke C. G.
Dalton Transactions 2021, 50(14), 4890-4903.
http://dx.doi.org/10.1039/D1DT00121C
https://hal.archives-ouvertes.fr/hal-03219725

Synthesis, characterization, and comparative theoretical investigation of dinitrogen-bridged group 6-gold heterobimetallic complexes
Specklin D., Coffinet A., Vendier L., del Rosal I., Dinoi C., Simonneau A.
Inorganic Chemistry 2021, 60(8), 5545–5562.
https://doi.org/10.1021/acs.inorgchem.0c03271
https://hal.archives-ouvertes.fr/hal-03176320

Transition metal-mediated dinitrogen functionalisation with boron
Simonneau A.
New Journal of Chemistry 2021, 45(21), 9294-9301.
http://dx.doi.org/10.1039/D1NJ01290H
https://hal.archives-ouvertes.fr/hal-03245930

Synthesis and characterisation of a very low-coordinate diferrous [2Fe-2S]0 unit
Schneider C., Groß S. J., Demeshko S., Bontemps S., Meyer F., Werncke G.
Chemical Communications 2021, 57(82), 10751-10754.
http://dx.doi.org/10.1039/D1CC04196G
https://hal.archives-ouvertes.fr/hal-03358082

Redox-active ligands in electroassisted catalytic H+ and CO2 reductions: Benefits and risks
Queyriaux N.
ACS Catalysis 2021, 11(7), 4024-4035.
https://doi.org/10.1021/acscatal.1c00237
https://hal.archives-ouvertes.fr/hal-03669876

Vanadium-catalyzed terpolymerization of α,ω-dienes with ethylene and cyclic olefins: Ready access to polar-functionalized polyolefins
Palucci B., Zanchin G., Ricci G., Vendier L., Lorber C., Leone G.
Macromolecules 2021, 54(23), 10700-10711.
https://doi.org/10.1021/acs.macromol.1c02142
https://hal.archives-ouvertes.fr/hal-03518735

Cyclooctadiene Rh(I) bis- and tris(pyrazolyl)aluminate complexes and their catalytic activity on the polymerization of phenylacetylene
Garcia O. J., Vendier L., Etienne M., Gwaltney S., Ressler A., Muñoz-Hernández M.-Á.
Inorganic Chemistry 2021, 60(14), 10757-10763.
https://doi.org/10.1021/acs.inorgchem.1c01434
https://hal.archives-ouvertes.fr/hal-03292668

Enantioselective reductive oligomerization of carbon dioxide into L-erythrulose via a chemoenzymatic catalysis
Desmons S., Grayson-Steel K., Nuñez-Dallos N., Vendier L., Hurtado J., Clapés P., Fauré R., Dumon C., Bontemps S.
Journal of the American Chemical Society 2021, 143(39), 16274–16283.
https://doi.org/10.1021/jacs.1c07872
https://hal.archives-ouvertes.fr/hal-03358019

Borane-catalysed dinitrogen borylation by 1,3-B–H bond addition
Coffinet A., Zhang D., Vendier L., Bontemps S., Simonneau A.
Dalton Transactions 2021, 50(16), 5582-5589.
http://dx.doi.org/10.1039/D1DT00317H
https://hal.archives-ouvertes.fr/hal-03176261

Impact of the alkali metal on the structural and dynamic properties of the anionic pentahydride ruthenium complexes [M(THF)x][RuH5(PCy3)2] (M = Li, Na, K)
Ayyappan R., Saha K., Grellier M., Clot E., Vendier L., Ghosh S., Sabo-Etienne S., Bontemps S.
Organometallics 2021, 40(17), 3024-3032.
https://doi.org/10.1021/acs.organomet.1c00384
https://hal.archives-ouvertes.fr/hal-03357901

Synthesis and reactivity of phosphine borohydride compounds
Ayyappan R., Coppel Y., Vendier L., Ghosh S., Sabo-Etienne S., Bontemps S.
Chemical Communications 2021, 57(3), 375-378.
http://dx.doi.org/10.1039/D0CC07072F
https://hal.archives-ouvertes.fr/hal-03149993

Partnerships

Click here to consult the partners

Academic
Local: Laboratoire Hétérochimie Fondamentale et Appliquée (LHFA, Université de Toulouse Paul Sabatier), Laboratoire de Physique et Chimie des Nano-Objets (LPCNO, Institut National des Sciences Appliquées, Toulouse)
National: Université de Grenoble
International: University of York (Royaume-Uni), Universidade Federal de São Carlos (UFSCar, São Carlos, Brésil), Technische Universität Darmstadt (Allemagne), Instituto di Scienze e Tecnologie Chimiche Giulio Natta (CNR-SCITEC, Milano, Italie)

Industrials
n.a.

Funding

Click here to consult the funders

Agence Nationale de la Recherche (ANR), Conseil Européen de la Recherche, Région Occitanie.

Alumnae

Click here to view
  •  Dr. Anaïs Coffinet
    Anaïs obtained her Ph.D. in 2020 under the supervision of Dr. A. Simonneau. She worked on the functionalization of dinitrogen with boranes. She is currently a post-doctoral associate at the COBRA laboratory (Rouen, France).
  • Dr. David Specklin
    David worked in the team from 2018 to 2021 as a post-doctoral researcher in collaboration with Dr. A. Simonneau. His research topics have mainly focused on the synthesis and reactivity of heterobimetallic dinitrogen complexes.
  • Dr. Amal Bouammali
    Amal obtained her Ph.D. in 2022 under the supervision of Dr. A. Simonneau. She worked on the functionalization of dinitrogen with organometallic reagents.

LCC

Laboratoire de chimie de coordination du CNRS

205 route de Narbonne, BP 44099
31077 Toulouse cedex 4
France

+ 33 5 61 33 31 00

Contact