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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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Publicat a:Nanomaterials (Basel)
Autors principals: Carlotto, Silvia, Sambi, Mauro, Sedona, Francesco, Vittadini, Andrea, Casarin, Maurizio
Format: Artigo
Idioma:Inglês
Publicat: MDPI 2020
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC7824030/
https://ncbi.nlm.nih.gov/pubmed/33379291
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/nano11010054
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