Order structure of methanol along the 200-bar isobar in the temperature range of 60-320°C according to IR spectroscopy

被引：10
作者：
Dyshin, A. A. [1 ]
Oparin, R. D. [1 ]
Kiselev, M. G. [1 ]
机构：
[1] Russian Acad Sci, Krestov Inst Solut Chem, Ivanovo, Russia
来源：
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B | 2012年 / 6卷 / 08期
基金：
俄罗斯基础研究基金会;
关键词：
supercritical state; methanol; heptane; infrared spectroscopy; hydrogen bonds; SUPERCRITICAL METHANOL; MOLECULAR-DYNAMICS; LIQUID; SIMULATION; MIXTURES; ALCOHOLS; HEPTANE;
D O I：
10.1134/S1990793112080106
中图分类号：
O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号：
070203 ; 070304 ; 081704 ; 1406 ;
摘要：
The topology and energetic characteristics of hydrogen bonded clusters in methanol and methanol-heptane mixtures are investigated by IR spectroscopy over a wide temperature range. The average number of hydrogen bonds per methanol molecule was calculated. Based on an analysis of changes in the spectral parameters of O...H intramolecular bonds, conclusions on structural rearrangements in the mixture under study at elevated temperatures are drawn.
引用
收藏
页码：868 / 872
页数：5
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