In Silico Analysis of the Electronic Delocalization in Some Double Fused-Ring Metallabenzenes

dc.contributor.author	Arias-Olivares, , David
dc.contributor.author	Becerra-Buitrago, , Andrés
dc.contributor.author	García-Sánchez, , Luis Carlos
dc.contributor.author	Islas, , Rafael
dc.date.accessioned	2022-05-14T14:31:49Z
dc.date.available	2022-05-14T14:31:49Z
dc.date.issued	2021-04
dc.description.abstract	In the current work, some metallabenzenes with one and several fused rings were analyzed in terms of their electronic delocalization. These fused-ring metallabenzenes are known as metallabenzenoids, and their aromatic character is not free of controversy. The systems of the current work were designed from crystallographic data of some synthesized molecules, and their electronic delocalization (aromaticity) was computationally examined in terms of the molecular orbital analysis (Hückel's rule), the induced magnetic field, and ring currents. The computational evidence allows us to understand if these molecules are or are not aromatic compounds. © 2021 American Chemical Society. Reaxys Chemistry database informationLearn about Reaxys chemistry database information	es
dc.description.sponsorship	IDEXACIÓN:SCOPUS	es
dc.identifier.citation	ACS OmegaOpen AccessVolume 6, Issue 14, Pages 9887 - 989713 April 2021	es
dc.identifier.issn	24701343
dc.identifier.uri	https://repositorio.unab.cl/xmlui/handle/ria/22535
dc.language.iso	en	es
dc.publisher	American Chemical Society	es
dc.title	In Silico Analysis of the Electronic Delocalization in Some Double Fused-Ring Metallabenzenes	es
dc.type	Artículo	es

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Nombre:: Olivares, David-In-Silico-Analysis-of-the-Electronic-Delocalization-in-Some-Double-FusedRing-MetallabenzenesACS-Omega.pdf
Tamaño:: 8.03 MB
Formato:: Adobe Portable Document Format
Descripción:: Articulo en Ingles

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