Mini-Review on Structure–Reactivity Relationship for Aromatic Molecules: Recent Advances

[Image: see text] Recent advances in quantifying nucleophilic reactivities in chemical reactions and intermolecular interactions of aromatic molecules are reviewed. This survey covers experimental (IR frequency shifts induced by hydrogen bonding) and theoretical (modeling of potential energy surface...

Descripción completa

Detalles Bibliográficos
Autores principales: Galabov, Boris, Ilieva, Sonia, Cheshmedzhieva, Diana, Nikolova, Valya, Popov, Vassil A., Hadjieva, Boriana, Schaefer, Henry F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8928515/
https://www.ncbi.nlm.nih.gov/pubmed/35309413
http://dx.doi.org/10.1021/acsomega.1c07176
_version_ 1784670658063499264
author Galabov, Boris
Ilieva, Sonia
Cheshmedzhieva, Diana
Nikolova, Valya
Popov, Vassil A.
Hadjieva, Boriana
Schaefer, Henry F.
author_facet Galabov, Boris
Ilieva, Sonia
Cheshmedzhieva, Diana
Nikolova, Valya
Popov, Vassil A.
Hadjieva, Boriana
Schaefer, Henry F.
author_sort Galabov, Boris
collection PubMed
description [Image: see text] Recent advances in quantifying nucleophilic reactivities in chemical reactions and intermolecular interactions of aromatic molecules are reviewed. This survey covers experimental (IR frequency shifts induced by hydrogen bonding) and theoretical (modeling of potential energy surfaces, atomic charges, molecular electrostatic potential) approaches in characterizing chemical reactivity. Recent advances in software developments assisting the evaluation of the reactive sites for electrophilic aromatic substitution are briefly discussed.
format Online
Article
Text
id pubmed-8928515
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher American Chemical Society
record_format MEDLINE/PubMed
spelling pubmed-89285152022-03-18 Mini-Review on Structure–Reactivity Relationship for Aromatic Molecules: Recent Advances Galabov, Boris Ilieva, Sonia Cheshmedzhieva, Diana Nikolova, Valya Popov, Vassil A. Hadjieva, Boriana Schaefer, Henry F. ACS Omega [Image: see text] Recent advances in quantifying nucleophilic reactivities in chemical reactions and intermolecular interactions of aromatic molecules are reviewed. This survey covers experimental (IR frequency shifts induced by hydrogen bonding) and theoretical (modeling of potential energy surfaces, atomic charges, molecular electrostatic potential) approaches in characterizing chemical reactivity. Recent advances in software developments assisting the evaluation of the reactive sites for electrophilic aromatic substitution are briefly discussed. American Chemical Society 2022-03-04 /pmc/articles/PMC8928515/ /pubmed/35309413 http://dx.doi.org/10.1021/acsomega.1c07176 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Galabov, Boris
Ilieva, Sonia
Cheshmedzhieva, Diana
Nikolova, Valya
Popov, Vassil A.
Hadjieva, Boriana
Schaefer, Henry F.
Mini-Review on Structure–Reactivity Relationship for Aromatic Molecules: Recent Advances
title Mini-Review on Structure–Reactivity Relationship for Aromatic Molecules: Recent Advances
title_full Mini-Review on Structure–Reactivity Relationship for Aromatic Molecules: Recent Advances
title_fullStr Mini-Review on Structure–Reactivity Relationship for Aromatic Molecules: Recent Advances
title_full_unstemmed Mini-Review on Structure–Reactivity Relationship for Aromatic Molecules: Recent Advances
title_short Mini-Review on Structure–Reactivity Relationship for Aromatic Molecules: Recent Advances
title_sort mini-review on structure–reactivity relationship for aromatic molecules: recent advances
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8928515/
https://www.ncbi.nlm.nih.gov/pubmed/35309413
http://dx.doi.org/10.1021/acsomega.1c07176
work_keys_str_mv AT galabovboris minireviewonstructurereactivityrelationshipforaromaticmoleculesrecentadvances
AT ilievasonia minireviewonstructurereactivityrelationshipforaromaticmoleculesrecentadvances
AT cheshmedzhievadiana minireviewonstructurereactivityrelationshipforaromaticmoleculesrecentadvances
AT nikolovavalya minireviewonstructurereactivityrelationshipforaromaticmoleculesrecentadvances
AT popovvassila minireviewonstructurereactivityrelationshipforaromaticmoleculesrecentadvances
AT hadjievaboriana minireviewonstructurereactivityrelationshipforaromaticmoleculesrecentadvances
AT schaeferhenryf minireviewonstructurereactivityrelationshipforaromaticmoleculesrecentadvances

Ejemplares similares