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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 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.

SUBMITTER: Liu MC

PROVIDER: S-EPMC5462790 | biostudies-literature | 2017 Jun

REPOSITORIES: biostudies-literature

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Identification of a Simplest Hypervalent Hydrogen Fluoride Anion in Solid Argon.

Liu Meng-Chen MC Chen Hui-Fen HF Chin Chih-Hao CH Huang Tzu-Ping TP Chen Yu-Jung YJ Wu Yu-Jong YJ

Scientific reports 20170607 1

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<sup>-</sup>, which is known to deviate from the Rundle-Pimentel model, and identified its ro-vibrational features. High-level ab init ...[more]

PMID: 28592793

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