Metallaborazines: To Be or Not to Be Delocalized

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dc.contributor.authorIslas, Rafael
dc.contributor.authorArias-Olivares, David
dc.contributor.authorBecerra-Buitrago, Andrés
dc.contributor.authorGarcía-Sánchez, Luis Carlos
dc.contributor.authorMéndez-Ayón, Lya Neftaly
dc.contributor.authorZuniga-Gutierrez, Bernardo
dc.date.accessioned2023-07-21T15:31:19Z
dc.date.available2023-07-21T15:31:19Z
dc.date.issued2021-08
dc.descriptionIndexación: Scopuses
dc.description.abstractIn the current work, the analysis of the electronic delocalization of some metallacycles, based on borazine, was realized by employing magnetic criteria, such as the induced magnetic field and magnetically induced current densities, and electronic criteria, such as adaptative natural density partitioning and the analysis of molecular orbitals. The current metallaborazines were generated from isoelectronic substitutions. The main question is whether the electronic delocalization increases or decreases. The results showed that metal-N bonded borazines could be cataloged as delocalized compounds. On the other hand, the metal-B bonded borazines could be cataloged as nonaromatic (or weak aromatic) compounds based on the results of this analysis.es
dc.description.urihttps://www-scopus-com.recursosbiblioteca.unab.cl/record/display.uri?eid=2-s2.0-85112438755&origin=resultslist&sort=plf-f&src=s&nlo=&nlr=&nls=&sid=4a80bda50d04d4bdeeb1dd6c59652d5d&sot=aff&sdt=cl&cluster=scofreetoread%2c%22all%22%2ct%2bscopubyr%2c%222021%22%2ct%2bscosubtype%2c%22ar%22%2ct%2bscosubjabbr%2c%22CENG%22%2ct%2c%22CHEM%22%2ct%2c%22BIOC%22%2ct&sl=61&s=AF-ID%28%22Universidad+Andr%c3%a9s+Bello%22+60002636%29+AND+SUBJAREA%28CENG%29&relpos=16&citeCnt=1&searchTerm=
dc.identifier.citationACS Omega Open Access Volume 6, Issue 30, Pages 19629 - 196413 August 2021es
dc.identifier.doi10.1021/acsomega.1c02257
dc.identifier.urihttps://repositorio.unab.cl/xmlui/handle/ria/51903
dc.language.isoenes
dc.publisherAmerican Chemical Societyes
dc.rights.licenseAttribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectReaxys Chemistry database informationes
dc.titleMetallaborazines: To Be or Not to Be Delocalizedes
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