Aromaticity in cyanuric acid

This study analyzes the aromatic nature of cyanuric acid (hexahydrotriazine) and some of its derivatives, in terms of aromatic stabilization energy (ASE) and electronic behavior. The simplest molecule (C(3)N(3)O(3)H(3)) is the most aromatic item out of the entire set, but some of the others also dis...

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Detalles Bibliográficos
Autores principales: Pérez-Manríquez, Liliana, Cabrera, Armando, Sansores, Luis Enrique, Salcedo, Roberto
Formato: Texto
Lenguaje:English
Publicado: Springer-Verlag 2010
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3102184/
https://www.ncbi.nlm.nih.gov/pubmed/20820829
http://dx.doi.org/10.1007/s00894-010-0825-2
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author Pérez-Manríquez, Liliana
Cabrera, Armando
Sansores, Luis Enrique
Salcedo, Roberto
author_facet Pérez-Manríquez, Liliana
Cabrera, Armando
Sansores, Luis Enrique
Salcedo, Roberto
author_sort Pérez-Manríquez, Liliana
collection PubMed
description This study analyzes the aromatic nature of cyanuric acid (hexahydrotriazine) and some of its derivatives, in terms of aromatic stabilization energy (ASE) and electronic behavior. The simplest molecule (C(3)N(3)O(3)H(3)) is the most aromatic item out of the entire set, but some of the others also display aromatic character. The structure of all the rings is analyzed considering their molecular orbitals as well as studying the inductive effect.
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spelling pubmed-31021842011-07-14 Aromaticity in cyanuric acid Pérez-Manríquez, Liliana Cabrera, Armando Sansores, Luis Enrique Salcedo, Roberto J Mol Model Original Paper This study analyzes the aromatic nature of cyanuric acid (hexahydrotriazine) and some of its derivatives, in terms of aromatic stabilization energy (ASE) and electronic behavior. The simplest molecule (C(3)N(3)O(3)H(3)) is the most aromatic item out of the entire set, but some of the others also display aromatic character. The structure of all the rings is analyzed considering their molecular orbitals as well as studying the inductive effect. Springer-Verlag 2010-09-07 2011 /pmc/articles/PMC3102184/ /pubmed/20820829 http://dx.doi.org/10.1007/s00894-010-0825-2 Text en © The Author(s) 2010 https://creativecommons.org/licenses/by-nc/4.0/This article is distributed under the terms of the Creative Commons Attribution Noncommercial License which permits any noncommercial use, distribution, and reproduction in any medium, provided the original author(s) and source are credited.
spellingShingle Original Paper
Pérez-Manríquez, Liliana
Cabrera, Armando
Sansores, Luis Enrique
Salcedo, Roberto
Aromaticity in cyanuric acid
title Aromaticity in cyanuric acid
title_full Aromaticity in cyanuric acid
title_fullStr Aromaticity in cyanuric acid
title_full_unstemmed Aromaticity in cyanuric acid
title_short Aromaticity in cyanuric acid
title_sort aromaticity in cyanuric acid
topic Original Paper
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3102184/
https://www.ncbi.nlm.nih.gov/pubmed/20820829
http://dx.doi.org/10.1007/s00894-010-0825-2
work_keys_str_mv AT perezmanriquezliliana aromaticityincyanuricacid
AT cabreraarmando aromaticityincyanuricacid
AT sansoresluisenrique aromaticityincyanuricacid
AT salcedoroberto aromaticityincyanuricacid

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