STUDY OF NMR RELAXATION OF XE-131 IN QUADRUPOLAR SOLVENTS

被引:20
作者
DEJAEGERE, A [1 ]
LUHMER, M [1 ]
STIEN, ML [1 ]
REISSE, J [1 ]
机构
[1] UNIV LIBRE BRUXELLES,SERV CHIM ORGAN,CP 165,50 AV FD ROOSEVELT,B-1050 BRUSSELS,BELGIUM
来源
JOURNAL OF MAGNETIC RESONANCE | 1991年 / 91卷 / 02期
关键词
D O I
10.1016/0022-2364(91)90198-3
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
An experimental and theoretical study of the quadrupolar relaxation of xenon-131 by quadrupolar solvents has been performed. The electric-field-gradient (EFG) fluctuations at the xenon nucleus are considered to be of purely electrostatic origin and are calculated by means of a new theoretical model called PISA (pair interactions structureless approximation), which is based on a simplified description of the structure of molecular liquids. The PISA results are compared to those of a Monte Carlo simulation. The influence of self- and cross-correlation functions on the total EFG correlation function is discussed. Calculated EFG fluctuations are then used, together with experimental relaxation rates, to determine effective correlation times. These correlation times are analyzed by considering different solvent motions. © 1991.
引用
收藏
页码:362 / 374
页数:13
相关论文
共 45 条
[1]  
ABRAGAM A, 1961, PRINCIPLES NUCLEAR M
[2]  
[Anonymous], 2013, THEORY SIMPLE LIQUID
[3]  
[Anonymous], 1971, PULSE FOURIER TRANSF
[4]  
ATKINS PW, 1978, PHYSICAL CHEM
[5]   TEST OF A SYMMETRY REDUCED EXTENDED RISM (XRISM) EQUATION AGAINST DIFFRACTION EXPERIMENTS ON LIQUID BENZENE AND HEXAFLUOROBENZENE AND EVALUATION OF OPTIMIZED POTENTIALS [J].
BARTSCH, E ;
BERTAGNOLLI, H .
BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1987, 91 (07) :745-753
[6]   THE STRUCTURE OF LIQUID BENZENE [J].
CLAESSENS, M ;
FERRARIO, M ;
RYCKAERT, JP .
MOLECULAR PHYSICS, 1983, 50 (01) :217-227
[7]  
CLAESSENS M, 1982, NOUV J CHIM, V6, P595
[8]   QUADRUPOLE EFFECTS IN NUCLEAR MAGNETIC RESONANCE STUDIES OF SOLIDS [J].
COHEN, MH ;
REIF, F .
SOLID STATE PHYSICS, 1957, 5 :321-438
[9]   A NEW METHOD FOR THE ESTIMATION OF INTERACTION ENERGIES IN LENNARD-JONES PURE LIQUIDS AND SOLUTIONS [J].
DEJAEGERE, A ;
CLAESSENS, M ;
LUHMER, M ;
BARDIAUX, M ;
REISSE, J .
JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (25) :7093-7097
[10]  
DEJAEGERE A, 1989, THESIS FREE U BRUSSE