The structure of liquid fluorosulfuric acid investigated by neutron diffraction

被引:9
作者
McLain, SE
Benmore, CJ
Turner, JFC [1 ]
机构
[1] Univ Tennessee, Neutron Sci Consortium, Knoxville, TN 37996 USA
[2] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA
[3] Argonne Natl Lab, Argonne, IL 60439 USA
关键词
D O I
10.1063/1.1495395
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 results of an investigation into the liquid structure of fluorosulfuric acid measured using neutron diffraction with isotopic substitution are reported. The first-order neutron difference function is extracted from data recorded at 300 and 193 K from isotopically labeled FSO3H and FSO3D. Analysis of the derived radial distribution functions shows that unique, multisite hydrogen bonding is present in the liquid. These results suggest hydrogen bonding between the hydrogen and fluorine as well as oxygen occurs in the liquid. The fraction of molecules that is hydrogen bound in each way varies with temperature, with the 193 K data showing a more tightly bound system. (C) 2002 American Institute of Physics.
引用
收藏
页码:3816 / 3821
页数:6
相关论文
共 45 条
[1]  
Allen F.H., 1993, CHEM AUTOMAT NEWS, V8, P31
[2]  
ALLEN FH, 1993, CHEM DESIGN AUTOMATI, V8, P1
[4]   The structure of liquid ethanol: A neutron diffraction and molecular dynamics study [J].
Benmore, CJ ;
Loh, YL .
JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (13) :5877-5883
[5]   Hexakis(carbonyl)iron(II) undecafluorodiantimonate(V), [Fe(CO)6][Sb2F11]2, and -hexafluoroantimonate(V), [Fe(CO)6][SbF6]2, their syntheses, and spectroscopic and structural characterization by single crystal X-ray diffraction and normal coordinate analysis [J].
Bernhardt, E ;
Bley, B ;
Wartchow, R ;
Willner, H ;
Bill, E ;
Kuhn, P ;
Sham, IHT ;
Bodenbinder, M ;
Bröchler, R ;
Aubke, F .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1999, 121 (31) :7188-7200
[6]  
Bernhardt E, 2000, ANGEW CHEM INT EDIT, V39, P168, DOI 10.1002/(SICI)1521-3773(20000103)39:1<168::AID-ANIE168>3.0.CO
[7]  
2-#
[8]   The structure of liquid methanol: A molecular dynamics study using three-site models [J].
Bianchi, L ;
Kalugin, ON ;
Adya, AK ;
Wormald, CJ .
MOLECULAR SIMULATION, 2000, 25 (05) :321-338
[9]   The synthesis and the molecular structure of hexakis (carbonyl)hexafluoroantimonato(V)tungsten(II) undecafluorodiantimonate (V), [W(CO)6(FSbF5)][Sb2F11] [J].
Bröchler, R ;
Sham, IHT ;
Bodenbinder, M ;
Schmitz, V ;
Rettig, SJ ;
Trotter, J ;
Willner, H ;
Aubke, F .
INORGANIC CHEMISTRY, 2000, 39 (10) :2172-2177
[10]   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