Analysis of the Gas Phase Acidity of Substituted Benzoic Acids Using Density Functional Concepts

A theoretical study of the effect of the substituent Z on the gas phase acidity of substituted benzoic acids ZC(6)H(4)COOH in terms of density functional theory descriptors (chemical potential, softness and Fukui function) is presented. The calculated gas phase Δ(acid)G° values obtained were close t...

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Detalles Bibliográficos
Autores principales: Amador-Balderas, Jorge A., Martínez-Sánchez, Michael-Adán, Ramírez, Ramsés E., Méndez, Francisco, Meléndez, Francisco J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7180886/
https://www.ncbi.nlm.nih.gov/pubmed/32252296
http://dx.doi.org/10.3390/molecules25071631

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7180886/
https://www.ncbi.nlm.nih.gov/pubmed/32252296
http://dx.doi.org/10.3390/molecules25071631

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