Infrared Spectroscopy Of [h₂o-(kr)_n]⁺ (n=1-3): Hemibond Formation With Water

Fujii, Asuka

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https://hdl.handle.net/2142/111120 Copy

Description

Title

Infrared Spectroscopy Of [h₂o-(kr)_n]⁺ (n=1-3): Hemibond Formation With Water

Author(s)

Fujii, Asuka

Contributor(s)

• Kuo, Jer-Lai
• Liu, Jing-Min
• Katada, Marusu
• Maeyama, Toshihiko
• Nishigori, Tomoki

Issue Date

2021-06-25

Keyword(s)

Clusters/Complexes

Abstract

Spatial overlap of two non-bonding orbitals of ionized and neutral molecules can result in formation of a hemibond (two-center three-electron (2c3e) bond). Though hemibond formation between water and rare gas atom has been theoretically predicted, no definite experimental evidence has been reported. In the present study, we perform infrared spectroscopy of [H${_2}$O-(Kr)${_n}$]$^{+}$ (n=1-3) clusters in the gas phase. Comparison of the observed spectral features in the OH stretch region with the ab initio anharmonic vibrational simulations demonstrates the hemibond formation between water and Kr in all the observed cluster sizes.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Permalink

http://hdl.handle.net/2142/111120

DOI

10.15278/isms.2021.FI02

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