https://vonwolff.cargo.site vonwolffchemistry Sun, 15 Oct 2023 11:40:59 +0000 https://vonwolff.cargo.site en https://vonwolff.cargo.site/Front-page Tue, 20 Jul 2021 09:38:37 +0000 vonwolffchemistry https://vonwolff.cargo.site/Front-page Niklas von WolffAbout  Jobs/News&nbsp; Publications/Awards  Cover Gallery&nbsp; Miscellaneous NVW&nbsp; Students Electrochemistry/DFT/Homogeneous Catalysis Contact:&nbsp; @vonwolffchem.bsky.social https://vonwolff.cargo.site/About Tue, 20 Jul 2021 09:38:38 +0000 vonwolffchemistry https://vonwolff.cargo.site/About Research Contact Hosted in the eMOCA team at the Institut Parisien de Chimie Moléculaire (IPCM, Sorbonne University/CNRS), we are working on the electrification of homogeneous catalysis for sustainable Chemistry, ranging from CO2 reduction, hydrogen storage to energy efficient organic chemistry.&nbsp; We are following a rational approach to understand reactivity by combining tools from DFT, molecular electrochemistry as well as organometallic synthesis. Dr Niklas von Wolff CNRS ResearcherInstitut Parisien de Chimie Moleculaire IPCM UMR 8232 eMOCA-TeamSorbonne University/CNRSF-75005 Paris, France mail: niklas.von_wolff@sorbonne-universite.fr @vonwolffchem.bsky.social https://ipcm.fr/en/en-research/en-presentation-emoca-group/ Electrifying Chemistry The chemical sector is responsible for a large share of industrial energy consumption and emissions (935 Mt CO2), with chemical production being coupled directly to CO2 emissions (1.3 t CO2 per t of product, see IEA report). It is therefore key to increase energy efficiency while also replacing fossil with renewable primary feedstock. Electrifying existing thermal processes for the production of chemicals would allow to directly control the energy input of a given chemical reaction and thus the energy efficiency. We try to combine highly selective homogeneous catalysts with electrochemistry to provide novel ways for the production of chemicals in a sustainable and energy efficient manner. Front Page @vonwolffchem.bsky.social orcid.org/0000-0001-8108-5365 niklas.von_wolff@sorbonne-universite.fr https://vonwolff.cargo.site/NVW Tue, 22 Aug 2023 10:59:51 +0000 vonwolffchemistry https://vonwolff.cargo.site/NVW Bio After studies at the University of Zurich (B.Sc.), Niklas moved to Paris to finish his M.Sc. (UPMC Paris) and a Diploma (ENS Paris). While working as a Master student at ENS Paris with Anny Jutand, he first got interested in the combination of electrochemistry and organometallic catalysis.End of 2016, he defended his PhD under the guidance of Thibault Cantat and Jean-Claude Berthet at CEA Saclay/University Paris Saclay working on main group catalysts for small molecule activation. In 2017 he started an industrial postdoc between AirLiquide and the former University Paris Diderot (now University Paris Cité), working with Marc Robert and&nbsp; Jean-Michel Savéant. Subsequently he moved to Israel to work as a postdoc and then visiting scientist at the Weizmann Institute of Sience under the guidance of David Milstein In 2019, he joined his current lab as tenured CNRS Assistant Professor (Chargé de Recherche) Front Page @vonwolffchem.bsky.social orcid.org/0000-0001-8108-5365 niklas.von_wolff@sorbonne-universite.fr https://vonwolff.cargo.site/Students Sun, 15 Oct 2023 11:40:59 +0000 vonwolffchemistry https://vonwolff.cargo.site/Students Students Clara Mauclaire (Master 2 student 2024, now PhD with Prof. Jean-Luc Renaud)Sitthichok Kasemthaveechok (Postdoc, 2022-2023, now&nbsp;Chargé de recherche IPCM, Sorbonne University)Lucas Mesnard (Bachelor student, 2023)Jade Formel (College intern, 2022)Francesco Crisanti (PhD student, 2021-2024, now Postdoc with Prof. Marc Robert)Damien Tocqueville (Master 2 student, 2021, Award for best Master thesis from the French Chemical Society (Electrochemistry Division)) Front Page @vonwolffchem.bsky.social orcid.org/0000-0001-8108-5365 niklas.von_wolff@sorbonne-universite.fr https://vonwolff.cargo.site/News Tue, 20 Jul 2021 11:46:08 +0000 vonwolffchemistry https://vonwolff.cargo.site/News News Jobs Oct ‘25: New preprint out in collaboration with Prof. Jennifer Peron and Marion Giraud from UPCité:&nbsp; 10.26434/chemrxiv-2025-v41pj Oct ‘25:New preprint out in collaboration with the Kumar lab (St. Andrews):&nbsp; 10.26434/chemrxiv-2025-fw7l4 July ‘25:Our ANR PRC project got funded. Great new collaboration with University Claude Bernard and University of Lorraine. More news soon. April ‘25: Great collaboration with the Kumar-lab from St. Andrews. Out now in ACS Sustainable Chem. Eng.:&nbsp;Direct Synthesis of Polyesterether from Ethylene Glycol June ‘24: We will move University and join the IPCM at Sorbonne University as part of the new eMOCA team! May ‘24:Check out this transdisciplinary work, where different roadmaps for a more sustainable chemical industry are analyzed. Out now in Chemical Science: An Anthropocene-Framed Transdisciplinary Dialog at the Chemistry-Energy Nexus. April ‘24:Bravo Francesco! Our work on the mechanism of photochemical benzene carbonylation with Metal-ligand cooperative catalyst is now on ChemRxiv. Go check it out: https://doi.org/10.26434/chemrxiv-2024-749j2-v2 Oct ‘23: Chok’s paper got accepted in Chemical Science! Big step towards electrified C-N bond formation. Oct ‘23: The team’s efforts were compensated by a Young Investigator award by the French Chemical Society Energy Division. Jun ‘23: Chok got a tenured CNRS position at the first try! Amazing news and big congrats! Will be joining the LEM in 2024. Apr ‘23: Our paper on ML applications for well-defined ruthenium complexes is out in Digital Discovery: https://doi.org/10.1039/D3DD00029J Nov ‘22: Chok presenting his poster at JCO 2022<img width="3024" height="3024" width_o="3024" height_o="3024" data-src="https://freight.cargo.site/t/original/i/44edfd15aef35296f73ce7fae996743361c3faa935cec50e9065f45c415048c2/IMG_6645.JPG" data-mid="159926752" border="0" src="https://freight.cargo.site/w/1000/i/44edfd15aef35296f73ce7fae996743361c3faa935cec50e9065f45c415048c2/IMG_6645.JPG" />Oct ‘22: Our paper on the electrification of the Milstein-catalyst is now out in Chemical Science:&nbsp; https://doi.org/10.1039/D2SC04533HCongratulations to the team! Jul ‘22: Our very first Master student,Damien, wins the price for the best Master thesis from the Electrochemistry subdivision of the SCF. Congratulations! <img width="4624" height="3468" width_o="4624" height_o="3468" data-src="https://freight.cargo.site/t/original/i/5a860bc7a31be8f3d4257ced38fc989ff27071dcdffbfbe58663d87b67ebea5c/20211129_121339.jpg" data-mid="127082703" border="0" src="https://freight.cargo.site/w/1000/i/5a860bc7a31be8f3d4257ced38fc989ff27071dcdffbfbe58663d87b67ebea5c/20211129_121339.jpg" /> We have two PhD positions available for start in Sept/October 2026 with the option for a prior Master internship.&nbsp; Also: Visit the eMOCA group homepage for more news and updates from the hosting lab (IPCM-eMOCA): https://ipcm.fr/en/en-research/en-presentation-emoca-group/ Front Page @vonwolffchem.bsky.socialorcid.org/0000-0001-8108-5365 niklas.von_wolff@sorbonne-universite.fr https://vonwolff.cargo.site/Cover-Gallery Tue, 22 Aug 2023 10:38:46 +0000 vonwolffchemistry https://vonwolff.cargo.site/Cover-Gallery Cover Gallery <img width="1251" height="1659" width_o="1251" height_o="1659" data-src="https://freight.cargo.site/t/original/i/5fac252b9c3d72264457adb88b0c02aaec34e8e9f69a842f714d1303c995eba2/ChemElectroChem.jpg" data-mid="188583315" border="0" src="https://freight.cargo.site/w/1000/i/5fac252b9c3d72264457adb88b0c02aaec34e8e9f69a842f714d1303c995eba2/ChemElectroChem.jpg" /> <img width="2480" height="3307" width_o="2480" height_o="3307" data-src="https://freight.cargo.site/t/original/i/5f21acfaf4f137521ef924d813e8e1eaf2e24d2cf9301073c51ebc73a20eb933/Cover.png" data-mid="188583551" border="0" src="https://freight.cargo.site/w/1000/i/5f21acfaf4f137521ef924d813e8e1eaf2e24d2cf9301073c51ebc73a20eb933/Cover.png" /> Front Page @vonwolffchem.bsky.socialorcid.org/0000-0001-8108-5365 niklas.von_wolff@sorbonne-universite.fr https://vonwolff.cargo.site/Publications Thu, 29 Jul 2021 10:20:56 +0000 vonwolffchemistry https://vonwolff.cargo.site/Publications Publications/Patents Funding/Awards 29. Integration of a Ruthenium-based Alcohol Dehydrogenation Catalyst in an all-Molecular CO2 Electrolyzer; A. Kundu, C. Liu, B. Giri, S. Zhao, E. Nubret, M. Giraud, J. Peron, M. Robert* and N. von Wolff*, ChemRxiv, 2025, 10.26434/chemrxiv-2025-v41pj 28. Highly efficient Hydrogenative depolymerisation of Polycaprolactone to 1,6-hexanediol; G. Saini, A. Sophia, N. von Wolff and A. Kumar*, RSC Sustainability, 2025,&nbsp;10.1039/D5SU00729A 27.&nbsp;Direct Synthesis of Polyesterether from Ethylene Glycol; G. Saini, P. Kulyabin, A. McLuskie, N. von Wolff* and A. Kumar*,&nbsp;ACS Sustainable Chem. Eng. 2025,&nbsp;10.1021/acssuschemeng.5c00886 26.Unlocking Metal-Ligand Cooperative Catalytic Photochemical Benzene Carbonylation: A Mechanistic Approach; F. Crisanti, M. Montag, D. Milstein, J. Bonin* and N. von Wolff*, Chem. Sci, 2024, 10.1039/D4SC05683C&nbsp; 25.An anthropocene-framed transdisciplinary dialog at the chemistry-energy nexus;&nbsp;M. S. Prévot,&nbsp;V. Finelli, X. Carrier, G. Deplano,&nbsp;M. Cavallo, E. A. Quadrelli, &nbsp;J.&nbsp;Michel,&nbsp;M.-H. Pietraru, C. Camp,&nbsp;G. Forghieri,&nbsp;A. Gagliardi,&nbsp;S. Seidel, A. Missemer,&nbsp;B. Reuillard,&nbsp;B. Centrella, S. Bordiga,&nbsp;M. G. Salamanca González,&nbsp;V. Artero,&nbsp;K. V. A. Birkelbach,&nbsp;N. von Wolff, Chem. Sci,&nbsp;2024, 10.1039/D4SC00099D 24. Visible light-driven CO2 reduction with homobimetalliccomplexes. Cooperativity between metals and activation of different pathways;&nbsp;J. Bharti, L. Chen, Z. Guo, L. Cheng, J. Wellauer, O. S. Wenger, N. von Wolff, K.-C. Lau, T.-C. Lau,* G. Chen* and M. Robert*, J. Am. Chem. Soc.,&nbsp;2023, 10.1021/jacs.3c07799&nbsp; 23. Merging Electrocatalytic Alcohol Oxidation with C-N Bond Formation by Electrifying Metal-Ligand Cooperative Catalysts; S. Kasemthaveechok,P. Gérardo,&nbsp;N. von Wolff*,&nbsp;Chem. Sci. 2023,&nbsp;10.1039/D3SC03408A 22. Interdisciplinary electrosynthesis: general discussion; L. Ackermann, N. von Wolff et al. Faraday Discussions, 2023, 10.1039/D3FD90037A 21.Predicting Ruthenium Catalysed Hydrogenation of Esters using Machine Learning; C. Mishra*, N. von Wolff*, A. Tripathi, C. N. Brodie, N. D. Lawrence, A. Ravuri, E. Brémond, A. Preiss, A.Kumar*,Digital Discovery, 2023,&nbsp;10.1039/d3dd00029j 20.Electrification of a Milstein-type Catalyst for Alcohol Reformation; , D. Tocqueville, F. Crisanti, J. Guerrero, E. Nubret, M. Robert, D. Milstein and N. von Wolff*, Chem. Sci., 2022,&nbsp;10.1039/d2sc04533h 19.&nbsp;Molecular Electrocatalytic Hydrogenation of Carbonyls and Dehydrogenation of Alcohols; N. von Wolff*, O. Rivada-Wheelaghan*, D. Tocqueville,ChemElectroChem, 2021, 10.1002/celc.202100617 18.&nbsp;Taming Electron Transfers: From Breaking Bonds to Creating Molecules; N. von Wolff*, M. Robert*, Chem. Rec, 2021, 10.1002/tcr.202100151 17.&nbsp;Homogeneous Reforming of Aqueous Ethylene Glycol to Glycolic Acid and Pure Hydrogen Catalyzed by Pincer-Ruthenium Complexes Capable of Metal–Ligand Cooperation;&nbsp;Y.-Q. Zou, N. von Wolff (Co-first author),M. Rauch, M. Feller, Q.-Q. Zhou, A. Aviel, Y. Diskin-Posner, L. Shimon, L. Avram, Y. Ben-David, D. Milstein*, Chem. Eur. J. 2020, 10.1002/chem.202005450 16.&nbsp;Hydrogenative Depolymerization of Nylons;&nbsp;A. Kumar,&nbsp;N. von Wolff, M. Rauch, Y.-Q. Zou, G. Shmul, Y. Ben-David, G. Leitus, L. Avram, D.&nbsp;Milstein*, J. Am. Chem. Soc. 2020,&nbsp;10.1021/jacs.0c05675 15.&nbsp;Emergence of CO2 electrolyzers including supported molecular catalyst; K. Torbensen, B. Boudy, D. Joulié, N. von Wolff, M. Robert*, Curr. Opin. Electrochem. 2020, 10.1016/j.coelec.2020.07.001 14.&nbsp;Iron Porphyrin Allows Fast and Selective Electrocatalytic Conversion of CO2 to CO in a Flow Cell;&nbsp;K. Torbensen, C.Han, B. Boudy, N. von Wolff, C. Bertail, W. Braun, M. Robert*, Chem. Eur. J.2020, 10.1002/chem.202000160 13.&nbsp;SO2 conversion to sulfones: development and mechanistic insights of a sulfonylative Hiyama cross-coupling; A. Adenot, J. Char, N. von Wolff, G. Lefèvre, L. Anthore-Dalion, T. Cantat*, Chem. Comm. 2019, 10.1039/c9cc06858a 12.&nbsp;Formamides as Isocyanate Surrogates: A Mechanistically Driven Approach to the Development of Atom-Efficient, Selective Catalytic Syntheses of Ureas, Carbamates, and Heterocycle;&nbsp;J. Bruffaerts, N. von Wolff, Y. Diskin-Posner, Y. Ben-David. D. Milstein*,&nbsp; J. Am. Chem. Soc., 2019,&nbsp;10.1021/jacs.9b08942 11.&nbsp;Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal–Ligand Cooperation;S. Tang, N. von Wolff (Co-first author), Y. Diskin-Posner, G. Leitus, Y. Ben-David, D. Milstein*, J. Am. Chem. Soc., 2019, 10.1021/jacs.9b02669 10.&nbsp;Activation of SO2 by N/Si+ and N/B Frustrated Lewis Pairs: Experimental and Theoretical Comparison with CO2 Activation;&nbsp;A. Adenot, N. von Wolff, G. Lefevre, J.-C. Berthet, P. Thuéry, T. Cantat*, Chem. Eur. J., 2019, 10.1002/chem.201901088 (Hot Paper) 09.&nbsp;Ethylene glycol as an efficient and reversible liquid-organic hydrogen carrier;&nbsp;Y.-Q. Zou, N. von Wolff, A. Anaby, Y. Xie, D. Milstein*, Nature Catalysis, 2019, 10.1038/s41929-019-0265-z 08.&nbsp;C−C Bond Formation of Benzyl Alcohols and Alkynes Using a Catalytic Amount of KOtBu: Unusual Regioselectivity through a Radical Mechanism;Kumar, T. Janes, S. Chakraborty, P. Daw, N. von Wolff, R. Carmieli, Y. Diskin-Posner and David Milstein*, Angew. Chem. Int. Ed. 2019,10.1002/anie.201812687 07.&nbsp;A process for the synthesis of sulfones and sulfonamides;&nbsp;N. von Wolff, J. Char, T. Cantat,&nbsp;2018, B1 EP 3178811 and A1 US 20170166542 06.&nbsp;Synthesis of Aromatic Sulfones from SO2 and Organosilanes Under Metal-free Conditions;&nbsp;N. von Wolff, J. Char, X. Frogneux, T. Cantat*, Angew. Chem. Int. Ed. 2017, 10.1002/anie.201702311 05.&nbsp;Reactivity and Structural Diversity in the Reaction of Guanidine 1,5,7-Triazabicyclo[4.4.0]dec-5-ene with CO2, CS2, and Other Heterocumulenes;&nbsp;N. von Wolff, C. Villiers, P. Thuéry, G. Lefèvre, M. Ephritikhine and T. Cantat*, Eur. J. Org. Chem., 2017, 10.1002/ejoc.201601267 04.&nbsp;Implications of CO2 Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+ Frustrated Lewis Pairs;&nbsp;N. von Wolff, G. Lefèvre, J.-C. Berthet, P. Thuéry and T. Cantat*, ACS Catal., 2016, 10.1021/acscatal.6b00421 03.&nbsp;CO2 Conversion into Esters by Fluoride-Mediated Carboxylation of Organosilanes and Halide Derivatives;&nbsp;X. Frogneux, N. von Wolff (Co-first author), P. Thuéry, G. Lefèvre and T. Cantat*, Chem. Eur. J. 2016, 10.1002/chem.201505092 02.&nbsp;Oxidative Addition of Haloheteroarenes to Palladium(0): Concerted versus SNAr-Type Mechanism;&nbsp;B. U. W. Maes, S. Verbeeck, T. Verhelst, A. Ekomié, N. von Wolff, G. Lefèvre, E. A. Mitchell, A. Jutand*, Chem. Eur. J., 2015, 10.1002/chem.201406210 01.&nbsp;Autocatalytic Intermolecular versus Intramolecular Deprotonation in C–H Bond Activation of Functionalized Arenes by Ruthenium(II) or Palladium(II) Complexes; I. Fabre, N. von Wolff, G. Le Duc, E. Ferrer Flegeau, C. Bruneau, P.H. Dixneuf, A. Jutand*, Chem. Eur. J. 2013, 10.1002/chem.2012038 2025ANR PRC (PI)ANR PRC (Collab) &nbsp; 2024 DIM-MaTerRE Grant 2023 Young Researcher Price of the French Chemical Society (Transversal Energy Division) 2021Maturation grant (ERGANEO)European cruciblistEuropean crucible project fundEuropean crucible Audience Choice Pitching Award IDEX&nbsp; University of Paris, PhD grant 2020 IDEX University of Paris, Emergence en recherche grant&nbsp; 2018Excellence Postdoc Fellowship, Israel Academy of Science and Humanities Feinberg Fellowship, Feinberg Graduate School, Weizmann Institute of Science 2017 René Dabard thesis award (2nd place), ENSCR (Rennes) BASF thesis award, SCF (IDF-section) 2014-2015ISOC travel grant (International School of Organometallic Chemistry, Camerino, Italy)ESR travel grant (COST Meeting, Taragonna, Spain) Front Page @vonwolffchem.bsky.socialorcid.org/0000-0001-8108-5365 niklas.von_wolff@sorbonne-universite.fr https://vonwolff.cargo.site/Miscellaneous Fri, 30 Jul 2021 23:21:48 +0000 vonwolffchemistry https://vonwolff.cargo.site/Miscellaneous Collaborations Links Tutorials Dr. Amit Kumar University of St. Andrews Dr. Challenger Mishra Cambridge UniversityProf. David MilsteinWeizmann Institute of Science DFT: ChemcraftAvogadro(free)Iboview (free,shiny orbitals and much more) Machine Learning/Descriptors: Morfeus(automated descriptors and much more)MolSimplify (automated screening)RDKit (mol. fingerprints) Online Topographic Steric Maps: SambVca(steric from xyz-coordinates) Mac in Chemistry: https://www.macinchem.org/Convert files with iBabelOC Lecture Noteshttps://ekwan.github.io/notes.html How to run windows programs on Mac (like Chemcraft):&nbsp; up to MacOs Mojave with wine: https://www.davidbaumgold.com/tutorials/wine-mac/ For MacOs Catalina/BigSur with wine bottler: https://www.youtube.com/watch?v=vkQj0lZFz6I Some stuff about Conda: https://www.youtube.com/watch?v=23aQdrS58e0 Blender Tutorials from Luminous Lab: https://bit.ly/3GAFPBr Deep learning in Chemistry: https://dmol.pub/intro.html Front Page @vonwolffchem.bsky.socialorcid.org/0000-0001-8108-5365 niklas.von_wolff@sorbonne-universite.fr