External double reference method to study concentration and temperature
dependences of chemical shifts determined on a unified scale
K. Mizuno, Y. Tamiya, and M. Mekata
Department of Applied Chemistry and Biotechnology,
Faculty of Engineering, University of Fukui, Fukui 910-8507, Japan
2-13-5 Kitaoji, Otsu 520-0843, Japan
Abstract:
We present the principle of an external reference method of NMR, named
the external double reference method, to study concentration and temperature
dependences of chemical shifts. By the method, we refer chemical shifts
of various samples at different temperatures to the peak of a reference
substance at a fixed referring temperature. Thus, we can determine the
chemical shifts in a variety of sample conditions on a unified scale.
Results of the application of the method to ¹H- and ¹³C-chemical
shifts of water and methanol are presented. We also report new data
of volume magnetic susceptibilities for several deuterated solvents
useful for the calibration in the method.
*Lecture presented at the European Molecular Liquids
Group (EMLG) Annual Meeting on the Physical Chemistry of Liquids: Novel
Approaches to the Structure, Dynamics of Liquids: Experiments, Theories,
and Simulation,Rhodes, Greece, 7-15 September 2002. Other presentations
are published in this issue, pp. 1-261.
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