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
Descripción
Sumario: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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