Revisiting the Electronic Structure of Cobalt Porphyrin Nitrene and Carbene Radicals with NEVPT2-CASSCF Calculations: Doublet versus Quartet Ground States
Author:
Affiliation:
1. Homogeneous, Supramolecular and Bio-Inspired Catalysis Group, Van ’t Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH Amsterdam, The Netherlands
Funder
Nederlandse Organisatie voor Wetenschappelijk Onderzoek
Publisher
American Chemical Society (ACS)
Subject
Inorganic Chemistry,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.1c00910
Reference74 articles.
1. van Leest, N. P.; Epping, R. F. J.; van Vliet, K. M.; Lankelma, M.; van den Heuvel, E.; Heijtbrink, N.; Broersen, R.; de Bruin, B. In Advances in Organometallic Chemistry; Pérez, P. J., Stone, F. G. A., West, R., Eds. Elsevier, 2018; Vol. 70, pp 71–180.
2. Catalytic C–H functionalization by metalloporphyrins: recent developments and future directions
3. Redox Noninnocence of Carbene Ligands: Carbene Radicals in (Catalytic) C−C Bond Formation
4. Radical-type Reactions Controlled by Cobalt: From Carbene Radical Reactivity to the Catalytic Intermediacy of Reactive o-Quinodimethanes
5. Cyclopropanation Reactions Mediated by Group 9 Metal Porphyrin Complexes
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