Computed ammonia affinity for evaluating Lewis acidity of organoboronates and organoboronamides

Lewis acidity of organoboronates [B(pin), B(neop), B(cat), B(eg), B(nad)] and organoboronamides [B(dan), B(aam), B(mdan)] has been found to be unifiedly evaluated by computed ammonia affinity (AA), while other methods [LUMO energies, global electrophilicity index (GEI), fluoride ion affinity (FIA)]...

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Detalles Bibliográficos
Autores principales: Tanaka, Hideya, Nakamoto, Masaaki, Yoshida, Hiroto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9844674/
https://www.ncbi.nlm.nih.gov/pubmed/36741141
http://dx.doi.org/10.1039/d2ra07826k
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author Tanaka, Hideya
Nakamoto, Masaaki
Yoshida, Hiroto
author_facet Tanaka, Hideya
Nakamoto, Masaaki
Yoshida, Hiroto
author_sort Tanaka, Hideya
collection PubMed
description Lewis acidity of organoboronates [B(pin), B(neop), B(cat), B(eg), B(nad)] and organoboronamides [B(dan), B(aam), B(mdan)] has been found to be unifiedly evaluated by computed ammonia affinity (AA), while other methods [LUMO energies, global electrophilicity index (GEI), fluoride ion affinity (FIA)] were only partially applicable. The relationships between the AA values and such structural characters including the B–X bond lengths, the X–B–X angles, and the changes in the B–X bond lengths in the formation of the ammonia adducts were also described.
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spelling pubmed-98446742023-02-03 Computed ammonia affinity for evaluating Lewis acidity of organoboronates and organoboronamides Tanaka, Hideya Nakamoto, Masaaki Yoshida, Hiroto RSC Adv Chemistry Lewis acidity of organoboronates [B(pin), B(neop), B(cat), B(eg), B(nad)] and organoboronamides [B(dan), B(aam), B(mdan)] has been found to be unifiedly evaluated by computed ammonia affinity (AA), while other methods [LUMO energies, global electrophilicity index (GEI), fluoride ion affinity (FIA)] were only partially applicable. The relationships between the AA values and such structural characters including the B–X bond lengths, the X–B–X angles, and the changes in the B–X bond lengths in the formation of the ammonia adducts were also described. The Royal Society of Chemistry 2023-01-17 /pmc/articles/PMC9844674/ /pubmed/36741141 http://dx.doi.org/10.1039/d2ra07826k Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Tanaka, Hideya
Nakamoto, Masaaki
Yoshida, Hiroto
Computed ammonia affinity for evaluating Lewis acidity of organoboronates and organoboronamides
title Computed ammonia affinity for evaluating Lewis acidity of organoboronates and organoboronamides
title_full Computed ammonia affinity for evaluating Lewis acidity of organoboronates and organoboronamides
title_fullStr Computed ammonia affinity for evaluating Lewis acidity of organoboronates and organoboronamides
title_full_unstemmed Computed ammonia affinity for evaluating Lewis acidity of organoboronates and organoboronamides
title_short Computed ammonia affinity for evaluating Lewis acidity of organoboronates and organoboronamides
title_sort computed ammonia affinity for evaluating lewis acidity of organoboronates and organoboronamides
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9844674/
https://www.ncbi.nlm.nih.gov/pubmed/36741141
http://dx.doi.org/10.1039/d2ra07826k
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AT yoshidahiroto computedammoniaaffinityforevaluatinglewisacidityoforganoboronatesandorganoboronamides

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