A Theoretical Study of the Occupied and Unoccupied Electronic Structure of High- and Intermediate-Spin Transition Metal Phthalocyaninato (Pc) Complexes: VPc, CrPc, MnPc, and FePc

The structural, electronic, and spectroscopic properties of high- and intermediate-spin transition metal phthalocyaninato complexes (MPc; M = V, Cr, Mn and Fe) have been theoretically investigated to look into the origin, symmetry and strength of the M–Pc bonding. DFT calculations coupled to the Zie...

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Detalles Bibliográficos
Autores principales: Carlotto, Silvia, Sambi, Mauro, Sedona, Francesco, Vittadini, Andrea, Casarin, Maurizio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7824030/
https://www.ncbi.nlm.nih.gov/pubmed/33379291
http://dx.doi.org/10.3390/nano11010054

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7824030/
https://www.ncbi.nlm.nih.gov/pubmed/33379291
http://dx.doi.org/10.3390/nano11010054

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