Infrared Spectroscopy and Anharmonic Vibrational Analysis of (H2O-Krn)+(n = 1-3): Hemibond Formation of the Water Radical Cation

Jing Min Liu, Tomoki Nishigori, Toshihiko Maeyama, Qian Rui Huang, Marusu Katada, Jer Lai Kuo, Asuka Fujii

研究成果: Article査読

抄録

The hemibond is a nonclassical covalent bond formed between a radical (cation) and a closed shell molecule. The hemibond formation ability of water has attracted great interest, concerning its role in ionization of water. While many computational studies on the water hemibond have been performed, clear experimental evidence has been hardly reported because the hydrogen bond formation overwhelms the hemibond formation. In the present study, infrared photodissociation spectroscopy is applied to (H2O-Krn)+ (n = 1-3) radical cation clusters. The observed spectra of (H2O-Krn)+ are well reproduced by the anharmonic vibrational simulations based on the hemibonded isomer structures. The firm evidence of the hemibond formation ability of water is revealed.

本文言語English
ページ(範囲)7997-8002
ページ数6
ジャーナルJournal of Physical Chemistry Letters
12
33
DOI
出版ステータスPublished - 2021 8 26

ASJC Scopus subject areas

  • 材料科学(全般)
  • 物理化学および理論化学

フィンガープリント

「Infrared Spectroscopy and Anharmonic Vibrational Analysis of (H<sub>2</sub>O-Kr<sub>n</sub>)<sup>+</sup>(n = 1-3): Hemibond Formation of the Water Radical Cation」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

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