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Revisiting the Electronic Structure of Cobalt Porphyrin Nitrene and Carbene Radicals with NEVPT2-CASSCF Calculations: Doublet versus Quartet Ground States

[Image: see text] Cobalt porphyrin complexes are established catalysts for carbene and nitrene radical group-transfer reactions. The key carbene and mono- and bisnitrene radical complexes coordinated to [Co(TPP)] (TPP = tetraphenylporphyrin) have previously been investigated with a variety of experi...

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Detalles Bibliográficos
Autores principales:	van Leest, Nicolaas P., de Bruin, Bas
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8220492/ https://www.ncbi.nlm.nih.gov/pubmed/34096281 http://dx.doi.org/10.1021/acs.inorgchem.1c00910

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