DFT Study of Molecular and Electronic Structure of Y, La and Lu Complexes with Porphyrazine and Tetrakis(1,2,5-thiadiazole)porphyrazine

ABSTRACT: Electronic and geometric structures of Y, La and Lu complexes with porphyrazine (Pz) and tetrakis(1,2,5-thiadiazole)porphyrazine (TTDPz) were investigated by density functional theory (DFT) calculations and compared. The nature of the bonds between metal atoms and nitrogen atoms has been d...

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Detalles Bibliográficos
Autores principales: Zhabanov, Yuriy A., Ryzhov, Igor V., Kuzmin, Ilya A., Eroshin, Alexey V., Stuzhin, Pavel A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7795284/
https://www.ncbi.nlm.nih.gov/pubmed/33383750
http://dx.doi.org/10.3390/molecules26010113

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7795284/
https://www.ncbi.nlm.nih.gov/pubmed/33383750
http://dx.doi.org/10.3390/molecules26010113

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