Cargando…
Classical and Reverse Substituent Effects in Substituted Anthrol Derivatives
The substituent effect in 1‐, 2‐, and 9‐anthrols is studied by means of B3LYP/6‐311++G(d,p) computation, taking into account substituents (X): NO(2), CN, OH and NH(2) located in all positions except the adjacent ones. The substituent effect is characterized by approaches based on quantum chemistry:...
Autores principales: | Szatylowicz, Halina, Domanski, Mateusz A., Krygowski, Tadeusz M. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2019
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6346296/ https://www.ncbi.nlm.nih.gov/pubmed/30697512 http://dx.doi.org/10.1002/open.201800234 |
Ejemplares similares
-
Interference of H-bonding and substituent effects in nitro- and hydroxy-substituted salicylaldehydes
por: Jezierska-Mazzarello, Aneta, et al.
Publicado: (2011) -
Energetic and Geometric Characteristics of the Substituents: Part 2: The Case of NO(2), Cl, and NH(2) Groups in Their Mono-Substituted Derivatives of Simple Nitrogen Heterocycles
por: Wieczorkiewicz, Paweł A., et al.
Publicado: (2021) -
Inductive or Field Substituent
Effect? Quantum Chemical
Modeling of Interactions in 1-Monosubstituted Bicyclooctane
Derivatives
por: Szatylowicz, Halina, et al.
Publicado: (2017) -
Substituted adenine quartets: interplay between substituent effect, hydrogen bonding, and aromaticity
por: Szatylowicz, Halina, et al.
Publicado: (2020) -
Toward the Physical Interpretation
of Inductive and Resonance Substituent
Effects and Reexamination Based on Quantum Chemical Modeling
por: Szatylowicz, Halina, et al.
Publicado: (2017)