Publications

Recent publications with RUG affiliation:

“Valence Tautomerism Induced Proton Coupled Electron Transfer:X−H Bond Oxidation with a Dinuclear Au(II) Hydroxide Complex” Hess, K. M.; Leach, I.F.; Wijtenhorst, L.; Lee, H.; Klein, J. E. M. N. Angew. Chem. Int. Ed. 2024, 63, e202318916. (DOI)

“A Porphyrin Iron (III) π‐Dication Species and its Relevance in Catalyst Design for the Umpolung of Nucleophiles” Engbers, S.; Guo, Y.; Klein J. E. M. N. Angew. Chem. Int. Ed. 2023, 62, e202313006. (DOI)

“Revisiting sp² Dilithio Methandiides: From Geometric Curiosity to Simple Bonding Description” Leach, I. F.; Speelman, T.; Somsen, C.; Klein J. E. M. N.; Havenith, R. W. A. Chem. Eur. J. 2023, 29, e202301911. (DOI)

“Spectroscopic Manifestations and Implications for Catalysis of Quasi-d¹⁰ Configurations in Formal Gold(III) Complexes” Trifonova, E. A.; Leach, I. F.; de Haas, W. B.; Havenith, R. W. A.; Tromp, M.; Klein J. E. M. N. Angew. Chem. Int. Ed. 2023, e202215523. (DOI)

“Gold(III) Catalyzed Overman Rearrangements: Controlling Steric Interactions using Pincer-Type Ligands” Engbers, S.; Trifonova, E. A.; van der Geest, K. M.; Nauta, W. J.; Hess, K. M.; Klein, J. E. M. N. ChemCatChem 2022, 14, e202200870. (DOI)

“On the Role of Non-Covalent Ligand-Substrate Interactions in Au(I) Catalysis: An Experimental and Computational Study of Protodeauration” Jo, T.; Taschinski, S.; Leach, I. F.; Bauer, C.; Hashmi, A. S. K.; Klein, J. E. M. N. ACS Catalysis 2022, 12, 13158–13163. (DOI)

“Formation and Reactivity of a Fleeting Ni(III) Bisphenoxyl Diradical Species” Awasthi, A.; Leach, I. F.; Engbers, S.; Kumar, R.; Eerlapally, R.; Gupta, S.; Klein, J. E. M. N.; Draksharapu A. Angew. Chem. Int. Ed. 2022, e202211345. (DOI)

“Understanding the Surprising Oxidation Chemistry of Au-OH Complexes” Engbers, S.; Klein, J. E. M. N. ChemPhysChem 2022, e202200475. (DOI)

“Revisiting Formal Copper(III) Complexes: Bridging Perspectives with Quasi-d¹⁰ Configurations” Leach, I. F.; Havenith R. W. A.; Klein, J. E. M. N. Eur. J. Inorg. Chem. 2022, e202200247. (DOI)

“How reduced are nucleophilic gold complexes?” Leach, I. F.; Sorbelli, D.; Belpassi, L.; Belanzoni, P.; Havenith R. W. A.; Klein, J. E. M. N. Dalton. Trans. 2023, 52, 11-15. (DOI)

“Toward Environmentally Benign Electrophilic Chlorinations: From Chloroperoxidase to Bioinspired Isoporphyrins” Engbers, S.; Hage, R.; Klein, J. E. M. N. Inorg. Chem. 2022, 61, 8105–8111. (DOI)

“Gold-Aluminyl and Gold-Diarylboryl Complexes: Bonding and Reactivity with Carbon Dioxide” Sorbelli, D.; Rossi, E.; Havenith, R. W. A.; Klein, J. E. M. N.; Belpassi, L.; Belanzoni P. Inorg. Chem. 2022, 61, 7327-7337. (DOI)

“Homolytic X-H Bond Cleavage at a Gold(III) Hydroxide: Insights into One-Electron Events at Gold” Engbers, S.; Leach, I. F.; Havenith, R. W. A.; Klein, J. E. M. N. Chem. Eur. J. 2022, 28, e202200599. (DOI)

"Combining Structural with Functional Model Properties in Iron Synthetic Analogue Complexes for the Active Site in Rabbit Lipoxygenase" Dobbelaar, E.; Rauber, C.; Bonck, T.; Kelm, H.; Schmitz, M.; de Waal Malefijt, M. E.; Klein, J. E. M. N.; Krüger H.-J. J. Am. Chem. Soc. 2021, 143, 13145–13155. (DOI)

"Efficient Computation of Geometries for Gold Complexes" Leach, I. F.; Belpassi, L.; Belanzoni, P.; Havenith, R. W. A.; Klein, J. E. M. N. ChemPhysChem 2021, 22, 1262-1268. (DOI)

"Synthesis of a Sterically Encumbered Pincer Au(III)−OH Complex" Engbers, S.; Trifonova, E. A.; Hess, K. M.; de Vries, F.; Klein, J. E. M. N. Eur. J. Inorg. Chem. 2021, 3561-3564. (DOI)

"Gold‐Catalyzed Direct C(sp³)−H Acetoxylation of Saturated Hydrocarbons" Jo, T. G.; Klein, J. E. M. N. ChemCatChem 2021, 13, 4087-4091. (DOI)

"The electronic structure of carbones revealed: insights from valence bond theory" Havenith, R. W. A.; Cunha, A. V.; Klein, J. E. M. N.; Perolari, F.; Feng, X. Phys. Chem. Chem. Phys. 2021, 23, 3327-3334. (DOI)

"Spin-resolved charge displacement analysis as an intuitive tool for the evaluation of cPCET and HAT scenarios" D'Amore, L.; Belpassi, L.; Klein, J. E. M. N.; Swart M. Chem. Commun. 2020, 56, 12146-12149. (DOI)

“Light-Induced Mechanistic Divergence in Gold(I) Catalysis: Revisiting the Reactivity of Diazonium Salts” Taschinski, S.; Döpp, R.; Ackermann, M.; Rominger, F.; de Vries, F.; Menger, M. F. S. J.; Rudolph, M.; Hashmi, A. S. K.; Klein, J. E. M. N. Angew. Chem. Int. Ed. 2019, 58, 16988-16993. (DOI)

“Epoxidation of Alkenes by Peracids: From Textbook Mechanisms to a Quantum Mechanically Derived Curly-Arrow Depiction” Klein, J. E. M. N.; Knizia, G.; Rzepa, H. S. ChemistryOpen 2019, 8, 1244-1250. (DOI) (for Cover Feature see: DOI)

“σ-Noninnocence: Masked Phenyl-Cation Transfer at Formal Ni^IV” Steen, J. S.; Knizia, G.; Klein, J. E. M. N. Angew. Chem. Int. Ed. 2019, 58, 13133-13139. (DOI)

“Cationic Gold(I) Diarylallenylidene Complexes: Bonding Features and Ligand Effects” Sorbelli, D.; Nunes dos Santos Comprido,L.; Knizia, G.; Hashmi, A. S: K.; Belpassi, L.; Belanzoni, P.; Klein, J. E. M. N. ChemPhysChem 2019, 20, 1671-1679. (DOI) (for Cover Feature see: DOI)

“Facile Conversion of syn-[Fe^IV(O)(TMC)]²⁺ into the anti Isomer via Meunier's Oxo-Hydroxo Tautomerism Mechanism” Prakash, J.; Sheng, Y.; Draksharapu, A.; Klein, J. E. M. N.; Cramer, C. J.; Que, L., Jr. Angew. Chem. Int. Ed. 2019, 58, 1995-1999. (DOI)

“cPCET versus HAT: A Direct Theoretical Method for Distinguishing X–H Bond-Activation Mechanisms” Klein, J. E. M. N.; Knizia, G. Angew. Chem. Int. Ed. 2018, 57, 11913-11917. (DOI)

“The Pentagonal-Pyramidal Hexamethylbenzene Dication: The Many Shades of Coordination Chemistry at Carbon” Klein, J. E. M. N.; Havenith, R. W. A.; Knizia, G. Chem. Eur. J. 2018, 24, 12340-12345. (DOI)

A full publication list is maintained here.