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FunCatDesign SIGNED

Fundamental Studies in Catalysis – Reactivity Design with Experimental and Computational Tools

Total Cost €

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EC-Contrib. €

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Partnership

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Project "FunCatDesign" data sheet

The following table provides information about the project.

Coordinator
RHEINISCH-WESTFAELISCHE TECHNISCHE HOCHSCHULE AACHEN 

Organization address
address: TEMPLERGRABEN 55
city: AACHEN
postcode: 52062
website: www.rwth-aachen.de

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Germany [DE]
 Project website http://www.schoenebeck.oc.rwth-aachen.de/
 Total cost 1˙491˙875 €
 EC max contribution 1˙491˙875 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2014-STG
 Funding Scheme ERC-STG
 Starting year 2015
 Duration (year-month-day) from 2015-05-01   to  2020-04-30

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    RHEINISCH-WESTFAELISCHE TECHNISCHE HOCHSCHULE AACHEN DE (AACHEN) coordinator 1˙491˙875.00

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 Project objective

Catalysis is ubiquitous in modern academic and industrial chemistry as well as an integral and indispensable discipline that may contribute to solutions of current global challenges. While the field has grown significantly over the past few decades, with numerous transformations that were previously unthinkable now being possible, progress has frequently relied on serendipitous discoveries or elaborate screening efforts. Although it is indisputable that high-throughput screening is an extremely lucrative approach to generate a wealth of chemical information, the next frontier in the development of innovative approaches to meet the high demand for predictable, selective and sustainable processes will likely arise from fundamental insight. However, owing to the complexity of catalytic processes, the fleeting and frequently highly sensitive nature of intermediates and the associated challenges in gaining fundamental mechanistic understanding, insight-driven developments and especially reactivity designs have so far been extremely rare. The objective of this proposal is to capitalize on the tools of experimental and computational chemistry as a powerful means to gain access to the fundamental mechanistic details of key catalytic steps that are required to allow reactivity design. The specific subject for study will focus on the most significant challenges in nickel-catalysis - a highly promising area in the context of sustainability and synthetic diversity owing to nickel’s relatively large abundance and also high reactivities towards relatively inert bonds. The proposed studies will address challenges in relation to Ni-catalyzed C-H activation, cross-coupling and trifluoromethylation reactions, as well as the exploration of novel avenues in catalysis at multinuclear sites.

 Publications

year authors and title journal last update
List of publications.
2018 Maoping Pu, Italo A. Sanhueza, Erdem Senol, Franziska Schoenebeck
Divergent Reactivity of Stannane and Silane in the Trifluoromethylation of Pd II : Cyclic Transition State versus Difluorocarbene Release
published pages: 15081-15085, ISSN: 1433-7851, DOI: 10.1002/anie.201808229
Angewandte Chemie International Edition 57/46 2020-01-27
2019 Erdem Senol, Thomas Scattolin, Franziska Schoenebeck
Selenolation of Aryl Iodides and Bromides Enabled by a Bench‐Stable Pd I Dimer
published pages: 9419-9422, ISSN: 0947-6539, DOI: 10.1002/chem.201900951
Chemistry – A European Journal 25/40 2020-01-14
2019 Ajoy Kapat, Theresa Sperger, Sinem Guven, Franziska Schoenebeck
E -Olefins through intramolecular radical relocation
published pages: 391-396, ISSN: 0036-8075, DOI: 10.1126/science.aav1610
Science 363/6425 2020-01-14
2019 Xiang-Yu Chen, Maoping Pu, Hong-Gang Cheng, Theresa Sperger, Franziska Schoenebeck
Arylation of Axially Chiral Phosphorothioate Salts by Dinuclear Pd I Catalysis
published pages: 11395-11399, ISSN: 1433-7851, DOI: 10.1002/anie.201906063
Angewandte Chemie International Edition 58/33 2020-01-14
2017 Indrek Kalvet, Guillaume Magnin, Franziska Schoenebeck
Rapid Room-Temperature, Chemoselective Csp2−Csp2 Coupling of Poly(pseudo)halogenated Arenes Enabled by Palladium(I) Catalysis in Air
published pages: 1603-1607, ISSN: 0044-8249, DOI: 10.1002/ange.201609635
Angewandte Chemie 129/6 2020-01-14
2018 Thomas Scattolin, Erdem Senol, Guoyin Yin, Qianqian Guo, Franziska Schoenebeck
Site-Selective C−S Bond Formation at C−Br over C−OTf and C−Cl Enabled by an Air-Stable, Easily Recoverable, and Recyclable Palladium(I) Catalyst
published pages: 12425-12429, ISSN: 1433-7851, DOI: 10.1002/anie.201806036
Angewandte Chemie International Edition 57/38 2020-01-14
2018 Maoping Pu, Italo A. Sanhueza, Erdem Senol, Franziska Schoenebeck
Divergent Reactivity of Stannane and Silane in the Trifluoromethylation of Pd II : Cyclic Transition State versus Difluorocarbene Release
published pages: 15081-15085, ISSN: 1433-7851, DOI: 10.1002/anie.201808229
Angewandte Chemie International Edition 57/46 2020-01-14
2019 Guillaume Magnin, Jamie Clifton, Franziska Schoenebeck
A General and Air-tolerant Strategy to Conjugated Polymers within Seconds under Palladium(I) Dimer Catalysis
published pages: 10179-10183, ISSN: 1433-7851, DOI: 10.1002/anie.201903765
Angewandte Chemie International Edition 58/30 2020-01-14
2017 Indrek Kalvet, Qianqian Guo, Graham J. Tizzard, Franziska Schoenebeck
When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides
published pages: 2126-2132, ISSN: 2155-5435, DOI: 10.1021/acscatal.6b03344
ACS Catalysis 7/3 2019-05-29
2017 Indrek Kalvet, Theresa Sperger, Thomas Scattolin, Guillaume Magnin, Franziska Schoenebeck
Palladium(I) Dimer Enabled Extremely Rapid and Chemoselective Alkylation of Aryl Bromides over Triflates and Chlorides in Air
published pages: 7078-7082, ISSN: 1433-7851, DOI: 10.1002/anie.201701691
Angewandte Chemie International Edition 56/25 2019-05-29
2017 Indrek Kalvet, Guillaume Magnin, Franziska Schoenebeck
Rapid Room-Temperature, Chemoselective Csp2−Csp2 Coupling of Poly(pseudo)halogenated Arenes Enabled by Palladium(I) Catalysis in Air
published pages: 1581-1585, ISSN: 1433-7851, DOI: 10.1002/anie.201609635
Angewandte Chemie International Edition 56/6 2019-05-29
2017 Thomas Scattolin, Kristina Deckers, Franziska Schoenebeck
Efficient Synthesis of Trifluoromethyl Amines through a Formal Umpolung Strategy from the Bench-Stable Precursor (Me 4 N)SCF 3
published pages: 221-224, ISSN: 1433-7851, DOI: 10.1002/anie.201609480
Angewandte Chemie International Edition 56/1 2019-05-29
2017 Alexander B. Dürr, Henry C. Fisher, Indrek Kalvet, Khai-Nghi Truong, Franziska Schoenebeck
Divergent Reactivity of a Dinuclear (NHC)Nickel(I) Catalyst versus Nickel(0) Enables Chemoselective Trifluoromethylselenolation
published pages: 13431-13435, ISSN: 1433-7851, DOI: 10.1002/anie.201706423
Angewandte Chemie International Edition 56/43 2019-05-29
2018 Sinead T. Keaveney, Franziska Schoenebeck
Palladium-Catalyzed Decarbonylative Trifluoromethylation of Acid Fluorides
published pages: 4073-4077, ISSN: 1433-7851, DOI: 10.1002/anie.201800644
Angewandte Chemie International Edition 57/15 2019-05-29

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