Raman Spectroscopic Study of Centered OHO Hydrogen Bonding in the Hydrogen Maleate Anion

IF 1.2 4区化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR

Journal of Structural Chemistry Pub Date : 2024-07-09 DOI:10.1134/s0022476624060118

M. A. Vershinin, K. A Vinogradova, E. A. Pritchina, B. A. Kolesov

引用次数: 0

Abstract

Raman spectra of potassium salts of the protonated K[C₄H₃O₄] and deuterated K[C₄H₂DO₄] maleate anion in the temperature range 5-300 K are presented. It is shown that at low (5 K) temperature roughly half of the protonated and one third of the deuterated H-bonds in maleate anions is extremely strong, the potential curve of the proton (deuteron) is single-well, in which the particles are located at the bond center, and the symmetry of the anions is C_2v. As the temperature increases, the deuterons begin to shift toward one of the oxygen atoms at T > 30 K, and the proton at T > 100 K. At room temperature, the symmetry of both compounds becomes C_1h.

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马来酸氢阴离子中中心 OHO 氢键的拉曼光谱研究

摘要介绍了质子化 K[C4H3O4] 和氘化 K[C4H2DO4] 马来酸阴离子钾盐在 5-300 K 温度范围内的拉曼光谱。结果表明，在低温（5 K）下，马来酸阴离子中大约一半的质子化 H 键和三分之一的氚化 H 键极为牢固，质子（氘核）的电势曲线为单井曲线，其中粒子位于键中心，阴离子的对称性为 C2v。随着温度的升高，氘核在 T > 30 K 时开始向其中一个氧原子移动，质子在 T > 100 K 时开始向其中一个氧原子移动。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Structural Chemistry 化学-无机化学与核化学

CiteScore

1.60

自引率

12.50%

发文量

142

审稿时长

8.3 months

期刊介绍： Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.