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Pure Appl. Chem., 2004, Vol. 76, No. 1, pp. 105-114

External double reference method to study concentration and temperature dependences of chemical shifts determined on a unified scale

K. Mizuno, Y. Tamiya and Mamoru 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.