DFT Method Used for Prediction of Molecular and Electronic Structures of Mn(VI) Macrocyclic Complexes with Porhyrazine/Phthalocyanine and Two Oxo Ligands

By using the data of the DFT quantum chemical calculation in the OPBE/TZVP and B3PW91/TZVP levels, the possibility of the existence of a manganese(VI) heteroligand complex containing porphyrazine or its tetra[benzo] derivative (phthalocyanine) and two oxygen (O(2−)) ligands, which is still unknown f...

Descripción completa

Detalles Bibliográficos
Autores principales: Chachkov, Denis V., Mikhailov, Oleg V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10059719/
https://www.ncbi.nlm.nih.gov/pubmed/36984275
http://dx.doi.org/10.3390/ma16062394

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10059719/
https://www.ncbi.nlm.nih.gov/pubmed/36984275
http://dx.doi.org/10.3390/ma16062394

Ejemplares similares