Experimental Determination of Relationship between Intramolecular O-D Bond Length and Its Stretching Vibrational Frequency of D2O Molecule in the Liquid State

被引：7

作者：

Kameda, Yasuo ^{[1
]}

Kowaguchi, Misaki ^{[1
]}

Tsutsui, Kana ^{[1
]}

Amo, Yuko ^{[1
]}

Usuki, Takeshi ^{[1
]}

Ikeda, Kazutaka ^{[2
]}

Otomo, Toshiya ^{[2
]}

机构：

[1] Yamagata Univ, Fac Sci, Dept Mat & Biol Chem, Yamagata 9908560, Japan

[2] KEK, Inst Mat Struct Sci, Tsukuba, Ibaraki 305080, Japan

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2021年 / 125卷 / 40期

关键词：

CENTER-DOT-O; NEUTRON-DIFFRACTION; ELECTRON-DIFFRACTION; AB-INITIO; WATER; HYDRATION; ICE; IONS; SPECTROSCOPY; SPECTRA;

D O I：

10.1021/acs.jpcb.1c07527

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Experimental evidence has been obtained for the structure-spectra relationship of hydrogen bonds in aqueous solutions. Intramolecular O-D distance, r(OD), has been determined by the least-squares fitting analysis of the neutron interference term in the high-Q region observed for pure D2O and concentrated aqueous solutions. The average O-D stretching frequency, nu(OD), has been obtained from the position of the center of gravity of the observed ATR-IR O-D stretching band. The linear relationship between r o r(OD) and nu(OD) has been confirmed in the liquid state. The slope of d nu(OD)/dr(OD) is evaluated to be -21 000 +/- 1000 cm(-1) A(-1).

引用

页码：11285 / 11291

页数：7

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