The Lewis acidity of boron trihalides revisited

The relative Lewis acidity of boron trihalides is analyzed within the framework of modern density functional theory using larger basis sets that include both polarization and diffuse functions. Concepts such as the strength of the B-X pπ bonding and vertical electron affinities, as well as geometry...

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Autores principales: Franca, Carlos Alberto, Pis Diez, Reinaldo
Formato: Articulo
Lenguaje:Inglés
Publicado: 2009
Materias:
Química
boron trihalides
Lewis acidity
density functional theory
adducts
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/177401
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SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-177401
record_format dspace
spelling I19-R120-10915-1774012025-03-14T20:12:06Z http://sedici.unlp.edu.ar/handle/10915/177401 The Lewis acidity of boron trihalides revisited Franca, Carlos Alberto Pis Diez, Reinaldo 2009 2025-03-14T16:39:02Z en Química boron trihalides Lewis acidity density functional theory adducts The relative Lewis acidity of boron trihalides is analyzed within the framework of modern density functional theory using larger basis sets that include both polarization and diffuse functions. Concepts such as the strength of the B-X pπ bonding and vertical electron affinities, as well as geometry and energetic features of complexes formed with ammonia are revisited. Notions often used in Basic Inorganic Chemistry courses to explain the Lewis acidity of boron trihalides are critically reviewed. La acidez de Lewis relativa de los trihaluros de boro es analizada a la luz de la teoría del funcional de la densidad moderna utilizando además funciones base de calidad triple-zeta aumentadas con funciones de polarización y difusas. Conceptos como fuerza de enlace entre orbitales atómicos pπ y afinidades electrónicas verticales de los trihaluros aislados, así como la geometría y energética de los aductos formados con amoníaco son revisados para analizar críticamente las nociones utilizadas frecuentemente en cursos de Química Inorgánica Básica para explicar la mencionada acidez de Lewis relativa. Centro de Química Inorgánica Articulo Articulo http://creativecommons.org/licenses/by-nc-sa/4.0/ Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) application/pdf 119-126
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Química
boron trihalides
Lewis acidity
density functional theory
adducts
spellingShingle Química
boron trihalides
Lewis acidity
density functional theory
adducts
Franca, Carlos Alberto
Pis Diez, Reinaldo
The Lewis acidity of boron trihalides revisited
topic_facet Química
boron trihalides
Lewis acidity
density functional theory
adducts
description The relative Lewis acidity of boron trihalides is analyzed within the framework of modern density functional theory using larger basis sets that include both polarization and diffuse functions. Concepts such as the strength of the B-X pπ bonding and vertical electron affinities, as well as geometry and energetic features of complexes formed with ammonia are revisited. Notions often used in Basic Inorganic Chemistry courses to explain the Lewis acidity of boron trihalides are critically reviewed.
format Articulo
Articulo
author Franca, Carlos Alberto
Pis Diez, Reinaldo
author_facet Franca, Carlos Alberto
Pis Diez, Reinaldo
author_sort Franca, Carlos Alberto
title The Lewis acidity of boron trihalides revisited
title_short The Lewis acidity of boron trihalides revisited
title_full The Lewis acidity of boron trihalides revisited
title_fullStr The Lewis acidity of boron trihalides revisited
title_full_unstemmed The Lewis acidity of boron trihalides revisited
title_sort lewis acidity of boron trihalides revisited
publishDate 2009
url http://sedici.unlp.edu.ar/handle/10915/177401
work_keys_str_mv AT francacarlosalberto thelewisacidityofborontrihalidesrevisited
AT pisdiezreinaldo thelewisacidityofborontrihalidesrevisited
AT francacarlosalberto lewisacidityofborontrihalidesrevisited
AT pisdiezreinaldo lewisacidityofborontrihalidesrevisited
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