M. A. Vershinin, K. A Vinogradova, E. A. Pritchina, B. A. Kolesov
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引用次数: 0
摘要
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。
Raman Spectroscopic Study of Centered OHO Hydrogen Bonding in the Hydrogen Maleate Anion
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 C2v. 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 C1h.
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.