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1

Computational Studies of Synthetically Relevant Homogeneous Organometallic Catalysis Involving Ni, Pd, Ir, and Rh: An Overview of Commonly Employed DFT Methods and Mechanistic Insights

Sperger, Theresa, Sanhueza, Italo A., Kalvet, Indrek, Schoenebeck, Franziska

Journal:

Chemical Reviews

Année:

2015

Langue:

english

Fichier:

PDF, 11.17 MB

english, 2015

2

Computation and Experiment: A Powerful Combination to Understand and Predict Reactivities

Sperger, Theresa, Sanhueza, Italo A., Schoenebeck, Franziska

Journal:

Accounts of Chemical Research

Année:

2016

Langue:

english

Fichier:

PDF, 1.77 MB

english, 2016

3

Understanding the Unusual Reduction Mechanism of Pd(II) to Pd(I): Uncovering Hidden Species and Implications in Catalytic Cross-Coupling Reactions

Johansson Seechurn, Carin C. C., Sperger, Theresa, Scrase, Thomas G., Schoenebeck, Franziska, Colacot, Thomas J.

Journal:

Journal of the American Chemical Society

Année:

2017

Langue:

english

Fichier:

PDF, 612 KB

english, 2017

4

An Exclusively trans -Selective Chlorocarbamoylation of Alkynes Enabled by a Palladium/Phosphaadamantane Catalyst

Le, Christine M., Hou, Xiao, Sperger, Theresa, Schoenebeck, Franziska, Lautens, Mark

Journal:

Angewandte Chemie International Edition

Année:

2015

Langue:

english

Fichier:

PDF, 1.99 MB

english, 2015

5

Remote C−H alkylation and C−C bond cleavage enabled by an in situ generated palladacycle

Ye, Juntao, Shi, Zhihao, Sperger, Theresa, Yasukawa, Yoshifumi, Kingston, Cian, Schoenebeck, Franziska, Lautens, Mark

Journal:

Nature Chemistry

Année:

2016

Langue:

english

Fichier:

PDF, 4.61 MB

english, 2016

6

E -Olefins through intramolecular radical relocation

Kapat, Ajoy, Sperger, Theresa, Guven, Sinem, Schoenebeck, Franziska

Journal:

Année:

2019

Fichier:

PDF, 1.22 MB

2019

7

Catalysis with Palladium(I) Dimers

Fricke, Christoph, Sperger, Theresa, Mendel, Marvin, Schoenebeck, Franziska

Journal:

Angewandte Chemie International Edition

Année:

2020

Fichier:

PDF, 2.88 MB

2020

8

Computationally deciphering palladium-catalyzed reaction mechanisms

Sperger, Theresa, Fisher, Henry C., Schoenebeck, Franziska

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Année:

2016

Langue:

english

Fichier:

PDF, 1.38 MB

english, 2016

9

Highly Efficient CSeCF 3 Coupling of Aryl Iodides Enabled by an Air-Stable Dinuclear Pd I Catalyst

Aufiero, Marialuisa, Sperger, Theresa, Tsang, Althea S.-K., Schoenebeck, Franziska

Journal:

Angewandte Chemie International Edition

Année:

2015

Langue:

english

Fichier:

PDF, 1.38 MB

english, 2015

10

ChemInform Abstract: An Exclusively trans-Selective Chlorocarbamoylation of Alkynes Enabled by a Palladium/Phosphaadamantane Catalyst.

Le, Christine M., Hou, Xiao, Sperger, Theresa, Schoenebeck, Franziska, Lautens, Mark

Journal:

Année:

2016

Fichier:

PDF, 29 KB

2016

11

Palladium/Phosphaadamantan-Katalysator ermöglicht die trans -selektive Chlorcarbamoylierung von Alkinen

Le, Christine M., Hou, Xiao, Sperger, Theresa, Schoenebeck, Franziska, Lautens, Mark

Journal:

Angewandte Chemie

Année:

2015

Langue:

german

Fichier:

PDF, 1.98 MB

german, 2015

12

Hoch effiziente C-SeCF 3 -Kupplung von Aryliodiden durch einen luftbeständigen zweikernigen Pd I -Katalysator

Aufiero, Marialuisa, Sperger, Theresa, Tsang, Althea S.-K., Schoenebeck, Franziska

Journal:

Angewandte Chemie

Année:

2015

Langue:

german

Fichier:

PDF, 1.56 MB

german, 2015

13

ChemInform Abstract: Highly Efficient C-SeCF 3 Coupling of Aryl Iodides Enabled by an Air-Stable Dinuclear Pd I Catalyst.

Aufiero, Marialuisa, Sperger, Theresa, Tsang, Althea S.-K., Schoenebeck, Franziska

Journal:

Année:

2016

Fichier:

PDF, 17 KB

2016

14

ChemInform Abstract: Computational Studies of Synthetically Relevant Homogeneous Organometallic Catalysis Involving Ni, Pd, Ir, and Rh: An Overview of Commonly Employed DFT Methods and Mechanistic Insights

Sperger, Theresa, Sanhueza, Italo A., Kalvet, Indrek, Schoenebeck, Franziska

Journal:

Année:

2015

Fichier:

PDF, 12 KB

2015

15

ChemInform Abstract: Computation and Experiment: A Powerful Combination to Understand and Predict Reactivities

Sperger, Theresa, Sanhueza, Italo A., Schoenebeck, Franziska

Journal:

Année:

2016

Fichier:

PDF, 16 KB

2016

16

Bench-Stable and Recoverable Palladium(I) Dimer as an Efficient Catalyst for Heck Cross-Coupling

Sperger, Theresa, Stirner, Christopher, Schoenebeck, Franziska

Journal:

Année:

2016

Langue:

english

Fichier:

PDF, 201 KB

english, 2016

17

Stereoselective Synthesis of Methylene Oxindoles via Palladium(II)-Catalyzed Intramolecular Cross-Coupling of Carbamoyl Chlorides

Le, Christine M., Sperger, Theresa, Fu, Rui, Hou, Xiao, Lim, Yong Hwan, Schoenebeck, Franziska, Lautens, Mark

Journal:

Journal of the American Chemical Society

Année:

2016

Langue:

english

Fichier:

PDF, 1.03 MB

english, 2016

18

Mechanistic insights on the Pd-catalyzed addition of C–X bonds across alkynes – a combined experimental and computational study

Sperger, Theresa, Le, Christine M., Lautens, Mark, Schoenebeck, Franziska

Journal:

Chemical Science

Année:

2017

Langue:

english

Fichier:

PDF, 1.34 MB

english, 2017

19

Palladium(I) Dimer Enabled Extremely Rapid and Chemoselective Alkylation of Aryl Bromides over Triflates and Chlorides in Air

Kalvet, Indrek, Sperger, Theresa, Scattolin, Thomas, Magnin, Guillaume, Schoenebeck, Franziska

Journal:

Angewandte Chemie International Edition

Année:

2017

Langue:

english

Fichier:

PDF, 1.63 MB

english, 2017

20

α-Arylation of Esters and Ketones Enabled by a Bench-Stable Pd(I) Dimer Catalyst

Sperger, Theresa, Schoenebeck, Franziska

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 212 KB

english, 2018

21

Chemoselective Pd-Catalyzed C-TeCF3 Coupling of Aryl Iodides

Sperger, Theresa, Guven, Sinem, Schoenebeck, Franziska

Journal:

Angewandte Chemie International Edition

Année:

2018

Langue:

english

Fichier:

PDF, 1.33 MB

english, 2018

22

Chemoselektive Pd-katalysierte C-TeCF 3 -Kupplung von Aryliodiden

Sperger, Theresa, Guven, Sinem, Schoenebeck, Franziska

Journal:

Angewandte Chemie

Année:

2018

Langue:

german

Fichier:

PDF, 1.58 MB

german, 2018

23

Arylation of Axially Chiral Phosphorothioate Salts via Dinuclear Pd(I) Catalysis

Chen, Xiang-Yu, Pu, Maoping, Cheng, Hong-Gang, Sperger, Theresa, Schoenebeck, Franziska

Journal:

Angewandte Chemie International Edition

Année:

2019

Langue:

english

Fichier:

PDF, 1.95 MB

english, 2019

24

Arylation of Axially Chiral Phosphorothioate Salts via Dinuclear Pd(I) Catalysis

Chen, Xiang-Yu, Pu, Maoping, Cheng, Hong-Gang, Sperger, Theresa, Schoenebeck, Franziska

Journal:

Angewandte Chemie

Année:

2019

Langue:

english

Fichier:

PDF, 1.90 MB

english, 2019

25

Arylation of Axially Chiral Phosphorothioate Salts via Dinuclear Pd(I) Catalysis

Chen, Xiang-Yu, Pu, Maoping, Cheng, Hong-Gang, Sperger, Theresa, Schoenebeck, Franziska

Journal:

Angewandte Chemie

Année:

2019

Fichier:

PDF, 1.90 MB

2019

26

Selective Ortho Functionalization of Adamantylarenes enabled by Dispersion and an Air-Stable Pd(I) Dimer

Kalvet, Indrek, Deckers, Kristina, Funes-Ardoiz, Ignacio, Magnin, Guillaume, Sperger, Theresa, Kremer, Marius, Schoenebeck, Franziska

Journal:

Angewandte Chemie International Edition

Année:

2020

Fichier:

PDF, 1.56 MB

2020

27

Selective ortho âFunctionalization of Adamantylarenes Enabled by Dispersion and an AirâStable Palladium(I) Dimer

Kalvet, Indrek, Deckers, Kristina, FunesâArdoiz, Ignacio, Magnin, Guillaume, Sperger, Theresa, Kremer, Marius, Schoenebeck, Franziska

Journal:

Angewandte Chemie

Année:

2020

Langue:

english

Fichier:

PDF, 2.03 MB

english, 2020

28

Corrigendum: Palladium(I) Dimer Enabled Extremely Rapid and Chemoselective Alkylation of Aryl Bromides over Triflates and Chlorides in Air

Kalvet, Indrek, Sperger, Theresa, Scattolin, Thomas, Magnin, Guillaume, Schoenebeck, Franziska

Journal:

Angewandte Chemie International Edition

Année:

2020

Fichier:

PDF, 353 KB

2020

29

Berichtigung: Palladium(I) Dimer Enabled Extremely Rapid and Chemoselective Alkylation of Aryl Bromides over Triflates and Chlorides in Air

Kalvet, Indrek, Sperger, Theresa, Scattolin, Thomas, Magnin, Guillaume, Schoenebeck, Franziska

Journal:

Angewandte Chemie

Année:

2020

Fichier:

PDF, 325 KB

2020

30

Next Generation AirâStable Pd(I) Dimer Enables Olefin Migrations & Selective CâC Couplings in Air

Kundu, Gourab, Sperger, Theresa, Rissanen, Kari, Schoenebeck, Franziska

Journal:

Angewandte Chemie International Edition

Année:

2020

Fichier:

PDF, 2.14 MB

2020

31

Next Generation AirâStable Pd(I) Dimer Enables Olefin Migrations & Selective CâC Couplings in Air

Kundu, Gourab, Sperger, Theresa, Rissanen, Kari, Schoenebeck, Franziska

Journal:

Angewandte Chemie

Année:

2020

Fichier:

PDF, 2.14 MB

2020