Isosterism in pyrrole via azaboroles substitution, a theoretical investigation for electronic structural, stability and aromaticity

This work uses ab-initio CBS-QB3 and density functional theory (B3LYP) to analyze the structure, stability, and aromaticity of all isosteric nitrogen-boron pyrroles. The mono-NB unit substituted group of the isosteric NB pyrrole has four isosteres, whereas the multi-NB unit substituted group has two...

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Detalles Bibliográficos
Autores principales: H. El-Demerdash, Safinaz, F. Gad, Shaimaa, M. El-Mehasseb, Ibrahim, E. El-Kelany, Khaled
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10551570/
https://www.ncbi.nlm.nih.gov/pubmed/37810871
http://dx.doi.org/10.1016/j.heliyon.2023.e20542

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10551570/
https://www.ncbi.nlm.nih.gov/pubmed/37810871
http://dx.doi.org/10.1016/j.heliyon.2023.e20542

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