FTIR study of condensed water structure

被引：42

作者：

Vasylieva, A. ^{[1
]}

Doroshenko, I. ^{[1
]}

Vaskivskyi, Ye. ^{[1
]}

Chernolevska, Ye. ^{[1
]}

Pogorelov, V. ^{[1
]}

机构：

[1] Taro Shevchenko Natl Univ Kyiv, Volodymyrska Str 64-13, UA-01601 Kiev, Ukraine

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2018年 / 1167卷

关键词：

Phase transition; Hydrogen bond; Cluster; Water; Quantum chemical calculations; INFRARED-SPECTROSCOPY; CLUSTERS; DENSITY; LIQUID; ANOMALIES; DYNAMICS; BEHAVIOR; PHASE;

D O I：

10.1016/j.molstruc.2018.05.002

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：

Infrared absorption spectroscopy is one of the most sensitive methods for investigation of hydrogen bonded liquids structure. FTIR spectra of condensed water were registered in the temperature range from -30 degrees C to 44 degrees C. Special attention is paid to behavior of water molecules at phase transition liquid - solid state. Spectral changes with temperature are described for all spectral regions. Results of quantum chemical calculations of thermochemical parameters, structural peculiarities and IR spectra of different water clusters were performed using package Gaussian 03. (C) 2018 Elsevier B.V. All rights reserved.

引用

页码：232 / 238

页数：7

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