標題: Identification of a Simplest Hypervalent Hydrogen Fluoride Anion in Solid Argon
作者: Liu, Meng-Chen
Chen, Hui-Fen
Chin, Chih-Hao
Huang, Tzu-Ping
Chen, Yu-Jung
Wu, Yu-Jong
應用化學系
Department of Applied Chemistry
公開日期: 7-Jun-2017
摘要: 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.
URI: http://dx.doi.org/10.1038/s41598-017-02687-z
http://hdl.handle.net/11536/145602
ISSN: 2045-2322
DOI: 10.1038/s41598-017-02687-z
期刊: SCIENTIFIC REPORTS
Volume: 7
起始頁: 0
結束頁: 0
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