Schoenebeck Research Group
139
Empowering Reactivity Predictions through Noise-Based Data Augmentation
J. A. Hueffel, Q. P. Bindschaedler, F. Sala, F. Schoenebeck*
J. Am. Chem. Soc. 2025, 147, 33232.
138
Discovery of Ni(I) Complexes for CO₂ Insertion Enabled by a Machine Learning-Computational-Selection Sequence
J. A. Hueffel, M. Rigoulet, S. Wellig, T. Sperger, J. S. Ward, K. Rissanen, F. Schoenebeck*
J. Am. Chem. Soc. 2025, 147, 26149.
137
Sterically Induced Acceleration of Aryl Halide Activation by Pd(0): A Radical Alternative to 2-Electron Oxidative Addition
D. Hupperich, J. Ponce-de-León, I. Funes-Ardoiz, T. Sperger, F. Schoenebeck*
J. Am. Chem. Soc. 2025, 147, 19941.
136
Access to N-Monofluoromethylated (Thio)Carbamates, Formamides, Alkynamides and Related Derivatives
F. Zivkovic, F. Bahns, C.-M. Hsu, F. Schoenebeck*
Angew. Chem. Int. Ed. 2025, 64, e202505478.
(previously posted in ChemRxiv 2025, DOI 10.26434/chemrxiv-2025-9fx5q)
135
Desulfurizative Fluorination of N–CF₃ Thioformamides for the Efficient Synthesis of N(CF₃)(CF₂H) Amines with Enhanced Stability
G. Wycich, J. Ponce-de-León, L. Liu, F. Schoenebeck*
Angew. Chem. Int. Ed. 2025, 64, e202506154.
134
Base-Catalyzed Remote Hydrogermylation of Olefins
E. Ahrweiler, A. Selmani, F. Schoenebeck*
Angew. Chem. Int. Ed. 2025, 64, e202503573.
133
A Photo- and Electrochemistry-Triggered Redox-Neutral Cyclization Strategy to Access Cyclic N-CF₃ Amides
A. Turksoy, A. Weßels, K. Deckers, C. D.-T. Nielsen, F. Schoenebeck*
Org. Lett. 2025, 27, 2908.
132
Electrochemistry-Enabled C-Heteroatom Bond Formation of Alkyl Germanes
M. D. Schoetz, K. Deckers, G. Singh, E. Ahrweiler, A. Hoeppner, F. Schoenebeck*
J. Am. Chem. Soc. 2024, 146, 21257.
131
Dynamic stereomutation of vinylcyclopropanes with metalloradicals
M. Mendel, T. M. Karl, J. Hamm, S. J. Kaldas, T. Sperger, B. Mondal, F. Schoenebeck*
Nature 2024, 631, 80.
130
Triply Selective & Sequential Diversification at Csp³: Expansion of Alkyl Germane Reactivity for C-C & C-Heteroatom Bond Formation
E. Ahrweiler, M. D. Schoetz, G. Singh, Q. P. Bindschaedler, A. Sorroche, F. Schoenebeck*
Angew. Chem. Int. Ed. 2024, 63, e202401545.
129
Access to N-Difluoromethyl Amides, (Thio)Carbamates, Ureas, and Formamides
F. G. Zivkovic, G. Wycich, L. Liu, F. Schoenebeck*
J. Am. Chem. Soc. 2024, 146, 1276.
(highlighted in ChemistryViews)
128
Mechanistic Insights on the Challenging Trifluoromethylation of Ni(II)
M. Rigoulet, S. Wellig, F. Schoenebeck*
ACS Catal. 2024, 14, 7456.
127
Post-Transition-State Dynamic Effects in the Transmetalation of Pd(II)-F to Pd(II)-CF₃
M. Pu, C. D.-T. Nielsen, E. Senol, T. Sperger, F. Schoenebeck*
JACS Au 2024, 4, 263.
126
Recent Developments with Organogermanes: their Preparation and Application in Synthesis and Catalysis
T. Rogova, E. Ahrweiler, M. D. Schoetz, F. Schoenebeck*
Angew. Chem. Int. Ed. 2024, 63, e202314709.
125
Site-Selective Nitration of Aryl Germanes at Room Temperature
A. Dahiya, A. G. Gevondian, A. Selmani, F. Schoenebeck*
Org. Lett. 2023, 25, 7209.
124
Orthogonal Olefination with Organogermanes
A. Dahiya, M. D. Schoetz, F. Schoenebeck*
Angew. Chem. Int. Ed. 2023, 62, e202310380.
(highlighted in Org. Process Res. Dev. 2024, 28, 327.)
123
Machine Learning-Guided Development of Trialkylphosphine Ni(I) Dimers and Applications in Site-Selective Catalysis
T. M. Karl, S. Bouayad-Gervais, J. A. Hueffel, T. Sperger, S. Wellig, S. J. Kaldas, U. Dabranskaya, J. S. Ward, K. Rissanen, G. J. Tizzard, F. Schoenebeck*
J. Am. Chem. Soc. 2023, 145, 15414.
122
Orthogonal C–O Bond Construction with Organogermanes
A. Dahiya, A. G. Gevondian, F. Schoenebeck*
J. Am. Chem. Soc. 2023, 145, 7729.
121
Rapid and Modular Access to Vinyl Cyclopropanes Enabled by Air-stable Palladium(I) Dimer Catalysis
M. Mendel, L. Gnägi, U. Dabranskaya, F. Schoenebeck*
Angew. Chem. Int. Ed. 2023, 62, e202211167.
(highlighted in Synfacts)
120
Anti-Markovnikov Hydrogermylation of Alkenes via Lewis Acid Catalysis
A. Selmani, F. Schoenebeck*
Synthesis 2023, 55, 1792.
(special issue dedicated to Prof. Cristina Nevado, recipient of the 2021 Dr. Margaret Faul Women in Chemistry Award)
119
Access to N-CF₃ Formamides by Reduction of N-CF₃ Carbamoyl Fluorides
F. G. Zivkovic, C. D.-T. Nielsen, F. Schoenebeck*
Angew. Chem. Int. Ed. 2022, 61, e202213829.
118
Access to Cyclic N-Trifluoromethyl Ureas through Photocatalytic Activation of Carbamoyl Azides
S. Bouayad-Gervais, C. D.-T. Nielsen, A. Turksoy, T. Sperger, K. Deckers, F. Schoenebeck*
J. Am. Chem. Soc. 2022, 144, 6100.
117
N-CF₃ Imidazolidin-2-one Derivatives via Photocatalytic and Silver-Catalyzed Cyclizations
A. Turksoy, S. Bouayad-Gervais, F. Schoenebeck*
Chem. Eur. J. 2022, 28, e202201435.
116
Modularity in the C(sp³) Space - Alkyl Germanes as Orthogonal Molecular Handles for Chemoselective Diversification
A. Selmani, M. D. Schoetz, A. E. Queen, F. Schoenebeck*
ACS Catal. 2022, 12, 4833.
115
Modular Generation of (Iodinated) Polyarenes using Organogermane as Orthogonal Masking Group
T. Kreisel, M. Mendel, A. E. Queen, K. Deckers, D. Hupperich, J. Riegger, C. Fricke, F. Schoenebeck*
Angew. Chem. Int. Ed. 2022, 61, e202201475.
(highlighted by P. W. Seavill in Nat. Synth. 2022, DOI 10.1038/s44160-022-00062-z)
114
Air-Stable Pd(I) Dimer enabled Remote Functionalization: Access to Fluorinated 1,1-Diaryl Alkanes with Unprecedented Speed
G. Kundu, F. Opincal, T. Sperger, F. Schoenebeck*
Angew. Chem. Int. Ed. 2022, 61, e202113667.
(highlighted in ChemistryViews)
113
Orthogonal and Modular Arylation of Alkynylgermanes
A. Dahiya, F. Schoenebeck*
ACS Catal. 2022, 12, 8048.
112
Direct C–H Dehydrogenative Germylation of Terminal Alkynes with Hydrogermanes
A. Dahiya, F. Schoenebeck*
Org. Lett. 2022, 24, 2728.
(highlighted in ChemistryViews)
111
Hydrogermylation of Alkenes via Organophotoredox-Initiated HAT Catalysis
A. E. Queen, A. Selmani, F. Schoenebeck*
Org. Lett. 2022, 24, 406.
110
Accelerated dinuclear palladium catalyst identification through unsupervised machine learning
J. A. Hueffel, T. Sperger, I. Funes-Ardoiz, J. S. Ward, K. Rissanen, F. Schoenebeck*
Science 2021, 374, 1134.
109
Site-Selective α-C–H Functionalization of Trialkylamines via Reversible Hydrogen Atom Transfer Catalysis
Y. Shen, I. Funez-Ardoiz, F. Schoenebeck*, T. Rovis*
J. Am. Chem. Soc. 2021, 143, 18952.
108
Synthesis of N-CF₃ Alkynamides and Derivatives Enabled by Ni-Catalyzed Alkynylation of N-CF₃ Carbamoyl Fluorides
C. D.-T. Nielsen, F. G. Zivkovic, F. Schoenebeck*
J. Am. Chem. Soc. 2021, 143, 13029.
107
Base-Mediated Direct C–H Germylation of Heteroarenes and Arenes
A. Dahiya, F. Schoenebeck*
Org. Lett. 2021, 23, 6010.
106
Selective Synthesis of Z-Silyl Enol Ethers via Ni-Catalyzed Remote Functionalization of Ketones
S. Guven, G. Kundu, A. Weßels, J. S. Ward, K. Rissanen, F. Schoenebeck*
J. Am. Chem. Soc. 2021, 143, 8375.
105
Transition-Metal-Free, Formal C–H Germylation of Arenes and Styrenes via Dibenzothiophenium Salts
A. Selmani, F. Schoenebeck*
Org. Lett. 2021, 23, 4779.
104
Base-Free Cross-Couplings of Aryl Diazonium Salts in Methanol: Pd(II)–Alkoxy as Reactivity-Controlling Intermediate
I. A. Sanhueza, F. J. R. Klauck, E. Senol, S. T. Keaveney, T. Sperger, F. Schoenebeck*
Angew. Chem. Int. Ed. 2021, 60, 7007.
(selected as a "Hot Paper")
103
Catalysis with Palladium(I) Dimers
C. Fricke, T. Sperger, M. Mendel, F. Schoenebeck*
Angew. Chem. Int. Ed. 2021, 60, 3355.
102
Organogermanes as Orthogonal Coupling Partner in Synthesis & Catalysis
C. Fricke, F. Schoenebeck*
Acc. Chem. Res. 2020, 53, 2715.
101
A Next-Generation Air-Stable Palladium(I) Dimer Enables Olefin Migrations & Selective C-C Couplings in Air
G. Kundu, T. Sperger, K. Rissanen, F. Schoenebeck*
Angew. Chem. Int. Ed. 2020, 59, 21930.
100
Established and Emerging Computational Tools to Study Homogeneous Catalysis - From Quantum Mechanics to Machine Learning
I. Funes-Ardoiz, F. Schoenebeck*
Chem. 2020, 6, 1904.
99
Orthogonal Stability & Reactivity of Aryl Germanes Enables Rapid and Selective (Multi)Halogenations
C. Fricke, K. Deckers and, F. Schoenebeck*
Angew. Chem. Int. Ed. 2020, 59, 18717.
98
Modular & Selective Arylation of Aryl Germanes (C-GeEt₃) over
C-Bpin, C-SiR₃ and Halogens enabled by Light-Activated Gold-Catalysis
G. J. Sherborne, A. G. Gevondian, I. Funes-Ardoiz, A. Dahiya, C. Fricke, F. Schoenebeck*
Angew. Chem. Int. Ed. 2020, 59, 15543.
(highlighted by S. Davey in Nat. Rev. Chem. 2020, 4, 333.)
97
N-Trifluoromethyl Hydrazines, Indoles and their Derivatives
S. Bouayad-Gervais, T. Scattolin, F. Schoenebeck*
Angew. Chem. Int. Ed. 2020, 59, 11908.
96
Germylation of Arenes via Pd(I) Dimer Enabled Sulfonium Salt Functionalization
A. Selmani, A. G. Gevondian, F. Schoenebeck*
Org. Lett. 2020, 22, 4802.
95
Gold-catalyzed Chemoselective Couplings of Polyfluoroarenes with Aryl Germanes and Downstream Diversification
A. Dahiya, C. Fricke, F. Schoenebeck*
J. Am. Chem. Soc. 2020, 142, 7754.
94
Selective Ortho Functionalization of Adamantylarenes enabled by Dispersion and an Air-Stable Pd(I) Dimer
I. Kalvet, K. Deckers, I. Funes-Ardoiz, G. Magnin, T. Sperger, M. Kremer, F. Schoenebeck*
Angew. Chem. Int. Ed. 2020, 59, 7721.
93
Site-Selective, Modular Diversification of Polyhalogenated Aryl Fluorosulfates (ArOSO₂F) enabled by an Air-Stable Pd(I) Dimer
M. Mendel, I. Kalvet, D. Hupperich, G. Magnin, F. Schoenebeck*
Angew. Chem. Int. Ed. 2020, 59, 2115.
92
A Review on Oxidative Gold-Catalyzed C-H Arylation of Arenes – Challenges and Opportunities
C. Fricke, W. B. Reid, F. Schoenebeck*
Eur. J. Org. Chem. 2020, 7119.
(selected as very important paper (VIP))
91
Facile Access to AgOCF₃ and Novel Applications as Reservoir for OCF₂ for the direct Synthesis of N-CF₃, Aryl or Alkyl Carbamoyl Fluorides
A. Turksoy, T. Scattolin, S. Bouayad-Gervais, F. Schoenebeck*
Chem. Eur. J. 2020, 26, 2183.
90
Selective Methylation of Amides, N-heterocycles, Thiols and Alcohols with Tetramethylammonium Fluoride (TMAF)
H.-G. Cheng, M. Pu, G. Kundu, F. Schoenebeck*
Org. Lett. 2020, 22, 331.
(most read article in December-January 2019/2020)
89
Orthogonal Nanoparticle Catalysis with Organogermaniums
C. Fricke, G. J. Sherborne, I. Funes-Ardoiz, E. Senol, S. Guven, F. Schoenebeck*
Angew. Chem. Int. Ed. 2019, 58, 17788.
88
Straightforward Access to N-Trifluoromethyl Amides, Carbamates, Thiocarbamates and Ureas
T. Scattolin, S. Bouayad-Gervais, F. Schoenebeck*
Nature 2019, 573, 102.
(Patent application filed. See also "News & Views" by J. Clayden (Nature 2019, 573, 37), C&En News highlight & blog by D. Lowe)
87
Gold-Catalyzed C-H Functionalization with Aryl Germanes
C. Fricke, A. Dahiya, W. B. Reid, F. Schoenebeck*
ACS Catal. 2019, 9, 9231.
86
Arylation of Axially Chiral Phosphorothioate Salts via Dinuclear Pd(I) Catalysis
X.-Y. Chen, M.-P. Pu, H.-G. Cheng, T. Sperger, F. Schoenebeck*
Angew. Chem. Int. Ed. 2019, 58, 11395.
(featured on The Cyclo Edition podcast)
85
A General and Air-tolerant Strategy to Conjugated Polymers within Seconds under Pd(I) Dimer Catalysis
G. Magnin, J. Clifton, F. Schoenebeck*
Angew. Chem. Int. Ed. 2019, 58, 10179.
(selected as "hot paper" & patent application filed)
84
E-Olefins through intramolecular radical relocation
A. Kapat, T. Sperger, S. Guven, F. Schoenebeck*
Science 2019, 363, 391.
(patent application filed)
83
C-I Selective Cross-Coupling Enabled by a Cationic Pd Trimer
C. J. Diehl, T. Scattolin, U. Englert, F. Schoenebeck*
Angew. Chem. Int. Ed. 2019, 58, 211.
(selected as very important paper (VIP))
82
Selenolation of Aryl Iodides and Bromides Enabled by a Bench-Stable Pd(I) Dimer
E. Senol, T. Scattolin, F. Schoenebeck*
Chem. Eur. J. 2019, 25, 9419.
(part of the OMCOS special issue)
81
Orthogonal Selectivity in C-H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution
S. Agasti, B. Mondal, T. Kumar Achar, S. Kumar Sinha, Anjana S. S., K. J. Szabo,* F. Schoenebeck,* D. Maiti*
ACS Catal. 2019, 9, 9606.
80
Chemoselective Pd-Catalyzed C-TeCF₃ Coupling of Aryl Iodides
T. Sperger, S. Guven, F. Schoenebeck*
Angew. Chem. Int. Ed. 2018, 57, 16903.
(selected as very important paper (VIP))
79
Divergent Reactivity of Stannane and Silane in the Trifluoromethylation of Pd(II): Cyclic Transition State versus Difluorocarbene Release
M. Pu, I. Sanhueza, E. Senol, F. Schoenebeck*
Angew. Chem. Int. Ed. 2018, 57, 15081.
(selected as very important paper (VIP))
78
Modular Functionalization of Arenes in a Triply Selective Sequence: Rapid C(sp²) and C(sp³) Coupling of C-Br, C-OTf & C-Cl enabled by a Single Pd(I) Dimer
S. T. Keaveney, G. Kundu, F. Schoenebeck*
Angew. Chem. Int. Ed. 2018, 57, 12573.
(selected as very important paper (VIP) & highlighted in Synfacts)
77
Site-Selective C-S Bond Formation at C-Br over C-OTf and C-Cl Enabled by an Air-Stable, Easy-to-Recover & Recyclable Pd(I) Catalyst
T. Scattolin, E. Senol, G. Yin, Q. Guo, F. Schoenebeck*
Angew. Chem. Int. Ed. 2018, 57, 12425.
76
Direct α-alkylation of primary aliphatic amines enabled by CO₂ and electrostatics
J. Ye, I. Kalvet, F. Schoenebeck*, T. Rovis*
Nature Chem. 2018, 10, 1037.
75
Palladium-Catalyzed Decarbonylative Trifluoromethylation of Acid Fluorides
S. T. Keaveney, F. Schoenebeck*
Angew. Chem. Int. Ed. 2018, 57, 4073.
(selected as very important paper (VIP))
74
[1,3]-Sigmatropic Shift of an Allylic Chloride
J. Boshkow, T. Scattolin, F. Schoenebeck,* E. M. Carreira*
Helv. Chim. Acta 2018, 101, e18001.
(Special issue dedicated to Prof. François Diederich)
73
α-Arylation of Esters and Ketones Enabled by a Bench-Stable Pd(I) Dimer Catalyst
T. Sperger, F. Schoenebeck*
Synthesis 2018, 50, 4471.
(Special issue dedicated to Prof. Scott E. Denmark on the occasion of his 65th birthday)
72
Investigation of (Me₄N)SCF₃ as a Stable, Solid & Safe Reservoir for S=CF₂ as a Surrogate for Thiophosgene
T. Scattolin, M. Pu, F. Schoenebeck*
Chem. Eur. J. 2018, 24, 567.
71
Tetramethylammonium Trifluoromethanthiolate
T. Scattolin, F. Schoenebeck*
e-EROS 2018, DOI: 10.1002/047084289X.rn02228.
70
Direct Synthesis of Acyl Fluorides from Carboxylic Acids with the Bench-Stable Solid Reagent (Me₄N)SCF₃
T. Scattolin, K. Deckers, F. Schoenebeck*
Org. Lett. 2017, 19, 5740.
(highlighted in C&En News and ChemistryViews)
69
Divergent Reactivity of a Dinuclear (NHC)Ni(I) Catalyst vs. Ni(0) enables Chemoselective Trifluoromethylselenolation
A. B. Dürr, H. C. Fisher, I. Kalvet, K.-N. Truong, F. Schoenebeck*
Angew. Chem. Int. Ed. 2017, 56, 13431.
68
Palladium(I) Dimer Enabled Extremely Rapid and Chemoselective Alkylation of Aryl Bromides over Triflates and Chlorides in Air
I. Kalvet, T. Sperger, T. Scattolin, G. Magnin, F. Schoenebeck*
Angew. Chem. Int. Ed. 2017, 56, 7078.
(highlighted in Synfacts)
67
Synthesis of Isothiocyanates and Unsymmetrical Thioureas with the Bench-Stable Solid Reagent (Me₄N)SCF₃
T. Scattolin, A. Klein, F. Schoenebeck*
Org. Lett. 2017, 19, 1831.
66
Understanding the Unusual Reduction Mechanism of Pd(II) to Pd(I): Uncovery of Hidden Species and Implications in Catalytic Cross-Coupling Reactions
C. C. C. Johansson Seechurn, T. Sperger, T. G. Scrase, F. Schoenebeck,* T. J. Colacot*
J. Am. Chem. Soc. 2017, 139, 5194.
(highlighted in C&En News)
65
The Holy Grail in Chemistry: Computational Catalyst Design – Feasible or Fiction?
C. Poree, F. Schoenebeck*
Acc. Chem. Res. 2017, 50, 605.
(part of the special anniversary issue “Holy Grails in Chemistry”)
64
Rapid Room Temperature Chemoselective C(sp²)-(Csp²) Coupling of Poly(pseudo)halogenated Arenes enabled by Pd(I) Catalysis in Air
I. Kalvet, G. Magnin, F. Schoenebeck*
Angew. Chem. Int. Ed. 2017, 56, 1581.
(highlighted in Synfacts)
63
Efficient Synthesis of Trifluoromethyl Amines (N-CF₃) via a Formal Umpolung Strategy from the Bench-Stable Precursor (Me₄N)SCF₃
T. Scattolin, K. Deckers, F. Schoenebeck*
Angew. Chem. Int. Ed. 2017, 56, 221.
(highlighted by Derek Lowe & belongs to the top 20 most downloaded articles in 2016 - 2018)
62
When Weaker Can Be Tougher: On the Role of Oxidation State (I) in P- vs. N-Ligand Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl halides
I. Kalvet, Q. Guo, G. J. Tizzard, F. Schoenebeck*
ACS Catal. 2017, 7, 2126.
61
Mechanistic Insights on the Pd-Catalyzed Addition of C-X Bonds across Alkynes – A Combined Experimental and Computational Study
T. Sperger, C. M. Le, M. Lautens*, F. Schoenebeck*
Chem. Sci. 2017, 8, 2914.
60
Synthesis and Optical Characterization of Hybrid Organic-Inorganic Heterofluorene Polymers
V. Fell, A. Mikosch, A.-K. Steppert, W. Ogieglo, E. Senol, D. Canneson, M. Bayer, F. Schoenebeck, A. Greilich, A. Kuehne
Macromolecules 2017, 50, 2338.
59
Mild and selective base-free C–H arylation of heteroarenes: Experiment and Computation
H. P. L. Gemoets, I. Kalvet, A. V. Nyuchev, N. Erdmann, V. Hessel,
F. Schoenebeck*, T. Noël*
Chem. Sci. 2017, 8, 1046.
58
Bench-Stable and Recoverable Pd(I) Dimer as Efficient Catalyst for Heck Cross-Coupling
T. Sperger, C. K. Stirner, F. Schoenebeck*
Synthesis 2017, 49, 115.
(Special issue on the occasion of Prof. Dieter Enders' 70th birthday)
57
Remote C−H alkylation and C-C bond cleavage enabled by an in situ generated palladacycle
J. Ye, Z. Shi, T. Sperger, Y. Yasukawa, C. Kingston, F. Schoenebeck*, M. Lautens*
Nature Chem. 2017, 9, 361.
56
Stereoselective Synthesis of Methylene Oxindoles via Palladium(II)-Catalyzed Intramolecular Cross-Coupling of Carbamoyl Chlorides
C. M. Le, T. Sperger, R. Fu, X. Hou, Y. Hwan Lim, F. Schoenebeck*, M. Lautens*
J. Am. Chem. Soc. 2016, 138, 14441.
55
Computation & Experiment – A Powerful Combination to Understand and Predict Reactivities
T. Sperger, I. A. Sanhueza, F. Schoenebeck*
Acc. Chem. Res. 2016, 49, 1311.
(part of the special issue “Computational Catalysis for Organic Synthesis”)
54
Lewis Acid Assisted Nickel-Catalyzed Cross-Coupling of Aryl Methyl Ethers by C-O Bond-Cleaving Alkylation: Prevention of Undesired β-Hydride Elimination
X. Liu, C.-C. Hsiao, I. Kalvet, M. Leiendecker, L. Guo, F. Schoenebeck*, M. Rueping*
Angew. Chem. Int. Ed. 2016, 55, 6093.
53
Angewandte Author Profile
F. Schoenebeck*
Angew. Chem. Int. Ed. 2016, 55, 2.
52
Factors that Control C-C Cleavage versus C-H Bond Hydroxylation in Copper-Catalyzed Oxidations of Ketones with O₂
A. S.-K. Tsang, A. Kapat, F. Schoenebeck*
J. Am. Chem. Soc. 2016, 138, 518.
51
Nickel-Catalyzed Trifluoromethylthiolation of C(sp²)-O Bonds
A. B. Dürr, G. Yin, I. Kalvet, F. Napoly, F. Schoenebeck*
Chem. Sci. 2016, 7, 1076.
50
Asymmetric Synthesis of Spiropyrazolones by Sequential Organo- and Silver Catalysis
D. Hack, A. B. Dürr, K. Deckers, P. Chauhan, N. Seling, L. Rübenach, L. Mertens, G. Raabe, F. Schoenebeck*, D. Enders*
Angew. Chem. Int. Ed. 2016, 55, 1797.
49
Computationally Deciphering Palladium-Catalyzed Reaction Mechanisms
T. Sperger, H. C. Fisher, F. Schoenebeck*
WIREs Comput. Mol. Sci. 2016, 6, 226.
48
An Exclusively trans-Selective Chlorocarbamoylation of Alkynes Enabled by a Palladium/ Phosphaadamantane Catalyst
C. M. Le, X. Hou, T. Sperger, F. Schoenebeck,* M. Lautens*
Angew. Chem. Int. Ed. 2015, 54, 15897.
47
Air-Stable Dinuclear Iodine-bridged Pd(I) Complex - Catalyst, Precursor or Parasite? The Additive Decides. Systematic Nucleophile-Activity Study and Application as Precatalyst in Cross-Coupling
M. Aufiero, T. Scattolin, F. Proutiere, F. Schoenebeck*
Organometallics 2015, 34, 5191.
46
Pentafluorosulfanyl-containing flufenamic acid analogs: Syntheses, properties and biological activities
C. M. M. Hendriks, T. M. Penning, T. Zang, D. Wiemuth, S. Gründer, I. A. Sanhueza, F. Schoenebeck, C. Bolm
Bioorg. Med. Chem. Lett. 2015, 25, 4437.
45
Highly Efficient C-SeCF₃ Coupling of Aryl Iodides Enabled by an Air-Stable Dinuclear Pd(I) Catalyst
M. Aufiero, T. Sperger, A. S.-K. Tsang, F. Schoenebeck*
Angew. Chem. Int. Ed. 2015, 54, 10322.
44
Computational Studies of Synthetically Relevant Homogeneous Organometallic Catalysis Involving Ni, Pd, Ir & Rh: An Overview of Commonly Employed DFT Methods and Mechanistic Insights
T. Sperger, I. A. Sanhueza, I. Kalvet, F. Schoenebeck*
Chem. Rev. 2015, 115, 9532.
43
Trifluoromethylthiolation of Aryl Iodides and Bromides Enabled by a Bench-Stable and Easy-To-Recover Dinuclear Pd(I) Catalyst
G. Yin, I. Kalvet, F. Schoenebeck*
Angew. Chem. Int. Ed. 2015, 54, 6809.
42
Fundamental Studies and Development of Nickel-Catalyzed Trifluoromethylthiolation of Aryl Chlorides: Active Catalytic Species and Key Roles of Ligand and Traceless MeCN Additive Revealed
G. Yin, I. Kalvet, U. Englert, F. Schoenebeck*
J. Am. Chem. Soc. 2015, 137, 4164.
41
Dispersion Makes the Difference: Bisligated Transition States Found for the Oxidative Addition of Pd(PtBu₃)₂ to Ar-OSO₂R and Dispersion-Controlled Chemoselectivity in Reactions with Pd[P(iPr)(tBu₂)]₂
E. Lyngvi, I. A. Sanhueza, F. Schoenebeck*
Organometallics 2015, 34, 805.
40
Strain-Accelerated Formation of Chiral, Optically Active Buta-1,3-dienes
M. Chiu*, B. H. Tchitchanov, D. Zimmerli, I. A. Sanhueza, F. Schoenebeck*, N. Trapp, W. B. Schweizer, F. Diederich*
Angew. Chem. Int. Ed. 2015, 54, 349.
39
Combining the Reactivity Properties of PCy₃ and PtBu₃ into a Single Ligand: P(iPr)(tBu)₂. Reaction via Mono- or Bisphosphine Pd(0) centers and Pd(I) Dimer Formation
F. Proutiere, E. Lyngvi, M. Aufiero, I. A. Sanhueza, F. Schoenebeck*
Organometallics 2014, 33, 6879.
38
Kinetic and Computational Studies on Pd(I) Dimer-Mediated Halogen Exchange of Aryl Iodides
I. Kalvet, K. J. Bonney, F. Schoenebeck*
J. Org. Chem. 2014, 79, 12041.
(invited contribution to the inaugural edition “Mechanisms in Metal-Based Organic Chemistry”)
37
Combining Experimental and Computational Studies to Understand and Predict Reactivities of Relevance to Catalysis
A. S.-K. Tsang, I. A. Sanhueza, F. Schoenebeck*
Chem. Eur. J. 2014, 20, 16432.
(invited Concept Article)
36
Computational Ligand Design for the Reductive Elimination of ArCF₃ from a Small Bite Angle Pd(II)-Complex: Remarkable Effect of a Perfluoroalkyl Phosphine
M. C. Nielsen, K. J. Bonney, F. Schoenebeck*
Angew. Chem. Int. Ed. 2014, 53, 5903.
(highlighted in Nature Chemistry 2014, 6, 558.)
35
Experiment and Computation: A Combined Approach to Study the Reactivity of Palladium Complexes in Oxidation States 0 to IV
K. J. Bonney, F. Schoenebeck*
Chem. Soc. Rev. 2014, 43, 6609.
(invited contribution to the Chemical Society Reviews' Emerging Investigators issue)
34
PROFILE: Early Excellence in Physical Organic Chemistry
F. Schoenebeck*
J. Phys. Org. Chem. 2014, 27, 1.
33
Mechanistic Insight into the Spirocyclopropane Isoxazolidine Ring Contraction
S. Diethelm, F. Schoenebeck,* E. M. Carreira*
Org. Lett. 2014, 16, 960.
32
Ligand, Additive and Solvent Effects in Palladium Catalysis - Mechanistic Studies en Route to Catalyst Design
F. Schoenebeck*
in "Understanding Organometallic Reaction Mechanisms and Catalysis - Experimental and Computational Tools" (Editor: V. P. Ananikov), Wiley-VCH, Weinheim, 2014.
31
Dinuclear Pd(I) Complexes – Solely Precatalysts? Demonstration of Direct Reactivity of a Pd(I) Dimer with an Aryl Iodide
K. J. Bonney, F. Proutiere, F. Schoenebeck*
Chem. Sci. 2013, 4, 4434.
30
Trifluoromethylation of Ketones and Aldehydes with Bu₃SnCF₃
I. A. Sanhueza, K. J. Bonney, M. C. Nielsen, F. Schoenebeck*
J. Org. Chem. 2013, 78, 7749.
29
On the Role of Anionic Ligands in the Site-Selectivity of Oxidative C-H Functionalization Reactions of Arenes
I. A. Sanhueza, A. M. Wagner, M. S. Sanford*, F. Schoenebeck*
Chem. Sci. 2013, 4, 2767.
28
Chemoselectivity in the Reductive Elimination from High Oxidation State Palladium Complexes - Scrambling Mechanism Uncovered
M. C. Nielsen, E. Lyngvi, F. Schoenebeck*
J. Am. Chem. Soc. 2013, 135, 1978.
27
Oxidative Addition Transition States of Pd(0) complexes in Polar Solvent - A DFT Study Involving Implicit and Explicit Solvation
E. Lyngvi, F. Schoenebeck*
Tetrahedron 2013, 69, 5715.
(Tetrahedron Young Investigator Award special edition in honor of Prof. Melanie Sanford)
26
Conference Report – The 48th EUCHEMS Conference on Stereochemistry (Bürgenstock Conference 2013)
F. Schoenebeck*, H. J. Jessen*
Chimia 2013, 67, 671.
25
Tandem Nucleophilic Addition/ Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamines G
L. Zhou, Z. Li, Y. Zou, Q. Wang,* I. A. Sanhueza, F. Schoenebeck*, A. Goeke*
J. Am. Chem. Soc. 2012, 134, 20009.
24
Cu-mediated Trifluoromethylation with Stannanes
I. A. Sanhueza, M. C. Nielsen, M. Ottiger, F. Schoenebeck*
Helv. Chim. Acta 2012, 95, 2231.
(Special Edition in honour of Prof. Dieter Seebach's 75th birthday)
23
Redox Reactions in Palladium Catalysis: On the Accelerating and/or Inhibiting Effects of Copper and Silver Salt Additives in Cross-Coupling Chemistry Involving Electron-Rich Phosphine Ligands
M. Aufiero, F. Proutiere, F. Schoenebeck*
Angew. Chem. Int. Ed. 2012, 51, 7226.
(selected as very important paper (VIP) & highlighted in Chimia and Angew. Chem. Int. Ed. 2012, 51, 10448.)
22
A Computational Study of the Origin of Stereoinduction in NHC-Catalyzed Annulation Reactions of alpha, beta-Unsaturated Acyl Azoliums
E. Lyngvi, J. W. Bode, F. Schoenebeck*
Chem. Sci. 2012, 3, 2346.
21
Reactivity and Stability of Dinuclear Pd(I) Complexes: Studies on the Active Catalytic Species, Insights into Precatalyst Activation and Deactivation, and Application in Highly Selective Cross-Coupling Reactions
F. Proutiere, M. Aufiero, F. Schoenebeck*
J. Am. Chem. Soc. 2012, 134, 606.
20
Tandem crossed-dimerisation/oxonia-Cope sequence of different carbonyl compounds to homoallylic esters and lactones
Y. Zou, C. Ding, L. Zhou, Z. Li, Q. Wang, F. Schoenebeck, A. Goeke,
Angew. Chem. Int. Ed. 2012, 51, 5647.
19
Electron Transfer to Benzenes by Photoactivated Neutral Organic Electron Donors
E. Cahard, F. Schoenebeck*, J. Garnier, S. P. Y. Cutulic, S. Zhou, J. A. Murphy*
Angew. Chem. Int. Ed. 2012, 51, 3673.
(highlighted in C&En News)
18
The YFM 2012 – Emerging Research and Established Needs: Fund raising, Publishing and Career Advancement
B. Winter-Werner*, F. Schoenebeck*, R. Gilmour*
Chimia 2012, 66, 9, 716.
(conference report)
17
Orthogonal Selectivities under Pd(0) Catalysis with Solvent Polarity: An Interplay of Computational and Experimental Studies
F. Proutiere, F. Schoenebeck*
Synlett 2012, 5, 645.
(invited SYNPACTS article)
16
Solvent Effect on Palladium-Catalyzed Cross Coupling Reactions and Implications on the Active Catalytic Species
F. Proutiere, F. Schoenebeck*
Angew. Chem. Int. Ed. 2011, 50, 8192.
15
Reductive Elimination of ArCF₃ from Bidentate Pd(II) Complexes - A Computational Study
P. Anstaett, F. Schoenebeck*
Chem. Eur. J. 2011, 17, 12340.
14
Expanding the chemical space for push-pull chromophores by non-concerted [2+2] and [4+2] cycloadditions: access to a highly functionalised 6,6-dicyanopentafulvene with an intense, low-energy charge-transfer band
G. Jayamurugan, J.-P.l Gisselbrecht, C. Boudon, F. Schoenebeck*, W. B. Schweizer, B. Bernet, F. Diederich*
Chem. Commun. 2011, 47, 4520.
13
Unprecedented thermal rearrangement of push–pull-chromophore–[60]fullerene conjugates: formation of chiral 1,2,9,12-tetrakis-adducts
M. Yamada, W. B. Schweizer, F. Schoenebeck*, F. Diederich*
Chem. Commun. 2010, 46, 5334.
-
Nature of Intermediates in Organo-SOMO Catalysis of α-Arylation of Aldehydes, J. M. Um, O. Gutierrez, F. Schoenebeck, K. N. Houk*, D. W. C. MacMillan*, J. Am. Chem. Soc. 2010, 132, 6001.
-
Ligand-Controlled Regioselectivity in Palladium-Catalyzed Cross Coupling Reactions, F. Schoenebeck*, K. N. Houk*, J. Am. Chem. Soc. 2010, 132, 2496.
-
Reductions of Challenging Organic Substrates by a Nickel Complex of a Noninnocent Crown Carbene Ligand, N. J. Findlay, S. R. Park, F. Schoenebeck, E. Cahard, S.-Z. Zhou, L. E. A. Berlouis, M. D. Spicer, T. Tuttle, J. A. Murphy*, J. Am. Chem. Soc. 2010, 132, 15462.
-
Computational Study of Factors Controlling the Boat and Chair Transition States of Ireland-Claisen Rearrangements, S. Gül, F. Schoenebeck, V. Aviyente, K. N. Houk*, J. Org. Chem. 2010, 75, 2115.
-
Reactivity and Regioselectivity in 1,3-Dipolar Cycloadditions of Azides to Strained Alkenes and Alkynes: A Computational Study, F. Schoenebeck, D. H. Ess, G. O. Jones, K. N. Houk*, J. Am. Chem. Soc. 2009, 131, 8121.
-
Theoretical Bond Dissociation Energies of Halo-Heterocycles: Trends and Relationships to Regioselectivity in Palladium-Catalyzed Cross-Coupling Reactions, Y. Garcia, F. Schoenebeck, C. Y. Legault, C. A. Merlic*, K. N. Houk*, J. Am. Chem. Soc. 2009, 131, 6632.
-
Theoretical Study of the Catalysis of Cyanohydrin Formation by the Cyclic Dipeptide Catalyst cyclo[(S)-His-(S)-Phe], F. Schoenebeck, K. N. Houk, J. Org. Chem. 2009, 74,1464.
-
One-Carbon Extrusion from a Tetraazafulvalene – Isolation of Aldehydes and a Study of Their Origin, J. A. Murphy*, F. Schoenebeck, N. J. Findlay, D. W. Thomson, S.-Z. Zhou, J. Garnier, J. Am. Chem. Soc. 2009, 131, 6475.
-
Super-Electron Donors: Bis-pyridinylidene Formation by Base Treatment of Pyridinium Salts, J. A. Murphy*, J. Garnier, S. R. Park, F. Schoenebeck, S.-Z. Zhou, A. T. Turner, Org. Lett. 2008, 6, 1227.
-
Reductive Cleavage of Sulfones and Sulfonamides by a Neutral Organic Super-Electron-Donor (S.E.D.) Reagent, F. Schoenebeck, J. A. Murphy*, S.-Z. Zhou, Y. Uenoyama, Y. Miclo, T. Tuttle, J. Am. Chem. Soc. 2007, 129, 13368.
-
The Generation of Aryl Anions by Double Electron Transfer to Aryl Iodides from a Neutral Ground-State Organic Super Electron Donor (S.E.D.), J. A. Murphy*, S.-Z. Zhou, D. W. Thomson, F. Schoenebeck, M. Mahesh, S. R. Park, T. Tuttle, L. E. A. Berlouis, Angew. Chem. Int. Ed. 2007, 46, 5178.
-
First Organophosphorus Radical-mediated Cyclisations To Afford Medium-sized Rings: 8-membered Lactones and 7- and 8-membered Lactams, S. Lang, M. Corr, N. Muir, T. A. Khan, F. Schönebeck, J. A. Murphy*, A. C. Williams, A. H. Payne, Tetrahedron Letters 2005, 46, 4027.