Structural properties of liquid N,N-dimethylformamide

被引：10

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 / 01期

基金：

俄罗斯基础研究基金会;

关键词：

organic solvents; N; N-dimethylformamide; structure of liquid; intermolecular interactions; computer simulation of liquids; Monte-Carlo method;

D O I：

10.1007/BF02495503

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Monte-Carlo simulation of liquid N,N-dimethylformamide was performed. The influence of electrostatic and van der Waals interactions on regularities of the mutual molecular arrangement was investigated. The spatial structure of liquid DMF is determined by the type of molecular packing and steric factors and is close to a random closely packed system of soft spheres. The electrostatic interactions only affect the mutual orientation of the molecules.

引用

页码：17 / 24

页数：8

共 19 条

[1]

BERNAL JD, 1968, PHYSICS SIMPLE LIQUI

[2]

BUSHUEV YG, 1996, RUSS J PHYS CHEM, V70, P1512

[3]

BUSHUEV YG, 1996, RUSS J PHYS CHEM, V70, P1825

[4] Dielectric constants of formamide and dimethylformamide via computer simulation [J].

Essex, JW ;

Jorgensen, WL .

JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (51) :17956-17962

[5]

GALIYAROVA NM, 1980, FIZ FIZ KHIM ZHIDK, P57

[6]

GURUNADHAM G, 1982, INDIAN J PURE AP PHY, V20, P886

[7] OPTIMIZED INTERMOLECULAR POTENTIAL FUNCTIONS FOR AMIDES AND PEPTIDES - STRUCTURE AND PROPERTIES OF LIQUID AMIDES [J].

JORGENSEN, WL ;

SWENSON, CJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (03) :569-578

[8]

KAPLAN IG, 1982, VVEDENIE TEORIYU MEZ

[9] C-13 NMR RELAXATION AND MOLECULAR-DYNAMICS - OVERALL MOVEMENT AND INTERNAL-ROTATION OF METHYL-GROUPS IN N,N-DIMETHYLFORMAMIDE [J].

KONRAT, R ;

STERK, H .

JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (04) :1291-1293

[10] DIELECTRIC-PERMITTIVITY ANALYSIS OF LIKELY SELF-ASSOCIATION OF N,N-DISUBSTITUTED AMIDES [J].

KOPECNI, MM ;

LAUB, RJ ;

PETKOVIC, DM .

JOURNAL OF PHYSICAL CHEMISTRY, 1981, 85 (11) :1595-1599

← 1 2 →