MOLECULAR CLUSTERS AND CORRELATIONS IN LIQUID METHANOL AT ROOM-TEMPERATURE

被引:134
作者
SARKAR, S
JOARDER, RN
机构
[1] Department of Physics, Jadavpur University
关键词
D O I
10.1063/1.465266
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
The analysis of x-ray diffraction data of liquid methanol at room temperature reveals a distinct possibility of the presence of hexamer molecular clusters due to intermolecular hydrogen bonding. On the assumption of hexamer domination in the structure, the center structure is derived, which in turn reproduces closely the available data on neutron diffraction and computer simulation for this system. The center-center correlations show special features of bonded structure.
引用
收藏
页码:2032 / 2039
页数:8
相关论文
共 36 条
[1]   H-BOND IN METHANOL - A MOLECULAR-DYNAMICS STUDY [J].
ALONSO, J ;
BERMEJO, FJ ;
GARCIAHERNANDEZ, M ;
MARTINEZ, JL ;
HOWELLS, WS .
JOURNAL OF MOLECULAR STRUCTURE, 1991, 250 (2-4) :147-170
[2]  
[Anonymous], 2013, THEORY SIMPLE LIQUID
[3]  
Blum L., 1976, ADV CHEM PHYS, V34, P203
[4]   STRUCTURAL STUDIES OF LIQUID D-GLYCEROL BY NEUTRON-DIFFRACTION [J].
CHAMPENEY, DC ;
JOARDER, RN ;
DORE, JC .
MOLECULAR PHYSICS, 1986, 58 (02) :337-347
[5]   AN IMPROVED INTERMOLECULAR POTENTIAL FUNCTION FOR SIMULATIONS OF LIQUID-HYDROGEN FLUORIDE [J].
COURNOYER, ME ;
JORGENSEN, WL .
MOLECULAR PHYSICS, 1984, 51 (01) :119-132
[6]  
CYVIN SJ, 1968, MOL VIBRATIONS MEAN
[7]   STRUCTURAL STUDIES OF LIQUID-HYDROGEN FLUORIDE BY NEUTRON-DIFFRACTION .1. LIQUID DF AT 293-K [J].
DERAMAN, M ;
DORE, JC ;
POWLES, JG ;
HOLLOWAY, JH ;
CHIEUX, P .
MOLECULAR PHYSICS, 1985, 55 (06) :1351-1367
[8]   STRUCTURAL STUDIES OF WATER AND OTHER HYDROGEN-BONDED LIQUIDS BY NEUTRON-DIFFRACTION [J].
DORE, JC .
JOURNAL OF MOLECULAR STRUCTURE, 1991, 250 (2-4) :193-211
[9]  
Filon L.N.G., 1928, P ROY SOC EDINB, V49, P38, DOI DOI 10.1017/S0370164600026262
[10]   MOLECULAR-DYNAMICS SIMULATION OF LIQUID METHANOL [J].
HAUGHNEY, M ;
FERRARIO, M ;
MCDONALD, IR .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (19) :4934-4940