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Molecular dynamics of 1-decanol in solution studied by NMR coupled relaxation and stochastic dynamic simulations

Authors :
Fang Liu
Horton,J.W.
Mayne, Charles L.
Tian-xiang Xiang
Grant, David M.
Source :
Journal of the American Chemical Society. June 17, 1992, Vol. 114 Issue 13, p5281, 14 p.
Publication Year :
1992

Abstract

13C NMR coupled relaxation techniques were used to measure the relaxation of different magnetization modes in the synthesized isotopic decanols 13C labeled at 1, 5 and 9 positons. Comparison of the correlation times for the 13CH2 group at varying positions and solvents revealed that the formation of a hydrogen bond between 1-decanol and the solvents influences the movement of neighboring chain segments. Stochastic dynamic studies support the use of ordinary Langevin equations for the description of the solute relaxationwithout relaxation modes with the ability to bind with the solute chain.

Details

ISSN :
00027863
Volume :
114
Issue :
13
Database :
Gale General OneFile
Journal :
Journal of the American Chemical Society
Publication Type :
Academic Journal
Accession number :
edsgcl.14050130