Published July 2023 | Version v1
Journal article

Intermolecular interactions in liquids revealed by soft X-ray absorption spectroscopy

  • 1. Institute for Molecular Science, Okazaki, Aichi (Japan)

Description

Soft X-ray absorption spectroscopy (XAS) is an effective method to perform element-selective analyses of liquid structures. In this review, we explain a precise liquid thickness control method for XAS of liquid samples in transmission mode and propose two theoretical approaches for analyzing liquid structures with the inner-shell quantum chemical calculations: One approach is that the liquid structures are determined by the inner-shell calculations of model structures. The hydrogen bond networks in aqueous dimethyl sulfoxide solutions were investigated by the oxygen K-edge XAS measurements with this theoretical approach. The other approach is the summation of the inner-shell spectra of small liquid structures including structural deviations. The carbon K-edge XAS spectrum of liquid ethanol was well reproduced by this theoretical approach. Future aspects of the XAS measurement methods of liquid samples to perform operando observations of several chemical phenomena in solutions are also discussed. (author)

Abstract (Japanese)

軟X線吸収分光法(XAS)は,元素選択的に液体の構造を明らかにする有用な手法である。本稿では,液体層の精密厚さ制御法による液体のXAS測定法について概説すると共に,液体の構造解析のための,内殻励起計算の2つのアプローチについて説明する。1つめのアプローチは,モデル構造の内殻励起計算を行う方法であり,これにより酸素K吸収端XAS測定からジメチルスルホキシド水溶液の水素結合ネットワークを調べた。2つめのアプローチは,構造ゆらぎを含む小さな液体構造の内殻励起計算を多数行う方法であり,これにより液体エタノールの炭素K吸収端XASスペクトルを再現した。開発した液体のXAS測定法を,溶液中の様々な化学現象のオペランド計測に展開する将来展望についても述べる。(著者)

Additional details

Additional titles

Original title (Japanese)
軟 X 線吸収分光法による液体の分子間相互作用の解明

Publishing Information

Journal Title
Hoshako
Journal Volume
36
Journal Issue
4
Series
雑誌名:放射光
Journal Page Range
p. 176-184
ISSN
0914-9287

Optional Information

Notes
47 refs., 7 figs.