Structural properties of liquid formamide

被引：9

作者：

Bushuev, YG ^{[1
]}

Zaichikov, AM ^{[1
]}

机构：

[1] Ivanovo State Acad Chem Technol, Ivanovo 153460, Russia

来源：

RUSSIAN CHEMICAL BULLETIN | 1998年 / 47卷 / 10期

基金：

俄罗斯基础研究基金会;

关键词：

organic solvents; formamide; liquid structure; intermolecular interactions; hydrogen bonds; computer simulation of liquids; Monte Carlo method;

D O I：

10.1007/BF02494484

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Computer simulations of liquid formamide were carried out by the Monte Carlo method at 298 and 348 K. The atom-atom spatial distribution functions, the concentrations of closed H-bonded ring, the radial distributions functions of the geometric centers of the rings, and a number of other characteristics of hydrogen-bonded systems were calculated. It was found that the open chains dominate over cyclic structures, which are prone to association and formation of structural heterogeneities. Characteristic types of molecular associates were determined.

引用

页码：1857 / 1863

页数：7

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