Identification of a Simplest Hypervalent Hydrogen Fluoride Anion in Solid Argon

Abstract Hypervalent molecules are one of the exceptions to the octet rule. Bonding in most hypervalent molecules is well rationalized by the Rundle–Pimentel model (three-center four-electron bond), and high ionic bonding between the ligands and the central atom is essential for stabilizing hyperval...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Meng-Chen Liu, Hui-Fen Chen, Chih-Hao Chin, Tzu-Ping Huang, Yu-Jung Chen, Yu-Jong Wu
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/eff4a12e706842a48292614982d89b98
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:eff4a12e706842a48292614982d89b98
record_format	dspace
spelling	oai:doaj.org-article:eff4a12e706842a48292614982d89b982021-12-02T11:50:55ZIdentification of a Simplest Hypervalent Hydrogen Fluoride Anion in Solid Argon10.1038/s41598-017-02687-z2045-2322https://doaj.org/article/eff4a12e706842a48292614982d89b982017-06-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-02687-zhttps://doaj.org/toc/2045-2322Abstract Hypervalent molecules are one of the exceptions to the octet rule. Bonding in most hypervalent molecules is well rationalized by the Rundle–Pimentel model (three-center four-electron bond), and high ionic bonding between the ligands and the central atom is essential for stabilizing hypervalent molecules. Here, we produced one of the simplest hypervalent anions, HF−, which is known to deviate from the Rundle–Pimentel model, and identified its ro-vibrational features. High-level ab inito calculations reveal that its bond dissociation energy is comparable to that of dihalides, as supported by secondary photolysis experiments with irradiation at various wavelengths. The charge distribution analysis suggested that the F atom of HF− is negative and hypervalent and the bonding is more covalent than ionic.Meng-Chen LiuHui-Fen ChenChih-Hao ChinTzu-Ping HuangYu-Jung ChenYu-Jong WuNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-6 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Meng-Chen Liu Hui-Fen Chen Chih-Hao Chin Tzu-Ping Huang Yu-Jung Chen Yu-Jong Wu Identification of a Simplest Hypervalent Hydrogen Fluoride Anion in Solid Argon
description	Abstract Hypervalent molecules are one of the exceptions to the octet rule. Bonding in most hypervalent molecules is well rationalized by the Rundle–Pimentel model (three-center four-electron bond), and high ionic bonding between the ligands and the central atom is essential for stabilizing hypervalent molecules. Here, we produced one of the simplest hypervalent anions, HF−, which is known to deviate from the Rundle–Pimentel model, and identified its ro-vibrational features. High-level ab inito calculations reveal that its bond dissociation energy is comparable to that of dihalides, as supported by secondary photolysis experiments with irradiation at various wavelengths. The charge distribution analysis suggested that the F atom of HF− is negative and hypervalent and the bonding is more covalent than ionic.
format	article
author	Meng-Chen Liu Hui-Fen Chen Chih-Hao Chin Tzu-Ping Huang Yu-Jung Chen Yu-Jong Wu
author_facet	Meng-Chen Liu Hui-Fen Chen Chih-Hao Chin Tzu-Ping Huang Yu-Jung Chen Yu-Jong Wu
author_sort	Meng-Chen Liu
title	Identification of a Simplest Hypervalent Hydrogen Fluoride Anion in Solid Argon
title_short	Identification of a Simplest Hypervalent Hydrogen Fluoride Anion in Solid Argon
title_full	Identification of a Simplest Hypervalent Hydrogen Fluoride Anion in Solid Argon
title_fullStr	Identification of a Simplest Hypervalent Hydrogen Fluoride Anion in Solid Argon
title_full_unstemmed	Identification of a Simplest Hypervalent Hydrogen Fluoride Anion in Solid Argon
title_sort	identification of a simplest hypervalent hydrogen fluoride anion in solid argon
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/eff4a12e706842a48292614982d89b98
work_keys_str_mv	AT mengchenliu identificationofasimplesthypervalenthydrogenfluorideanioninsolidargon AT huifenchen identificationofasimplesthypervalenthydrogenfluorideanioninsolidargon AT chihhaochin identificationofasimplesthypervalenthydrogenfluorideanioninsolidargon AT tzupinghuang identificationofasimplesthypervalenthydrogenfluorideanioninsolidargon AT yujungchen identificationofasimplesthypervalenthydrogenfluorideanioninsolidargon AT yujongwu identificationofasimplesthypervalenthydrogenfluorideanioninsolidargon
_version_	1718395200014909440

Identification of a Simplest Hypervalent Hydrogen Fluoride Anion in Solid Argon

Ejemplares similares