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Analysis of deuteron NMR spectrum in propanediol for polarization measurement

1981; Elsevier BV; Volume: 189; Issue: 2-3 Linguagem: Inglês

10.1016/0029-554x(81)90443-2

1872-9606

O. Hamada, S. Hiramatsu, S. Isagawa, S. Ishimoto, A. Masaike, K. Morimoto,

Advanced Chemical Physics Studies

An analysis of the deuteron NMR spectrum is given to determine the deuteron polarization and the quadrupole coupling parameters in deuterated 1, 2-propanediol-D6 and 1, 2-propanediol-D8. Deuterons are polarized by the dynamic method in a spin frozen target. The deuteron line-shape function is calculated for a polycrystalline solid. Agreement between the theoretical and experimental spectrum is satisfactorily good. The following parameters are obtained for the deuteron quadrupole coupling; e2qQ/h = (166.3 ± 1.0) kHz, η = 0.03 ± 0.01 for the C-D bond, and e2qQ/h = (197.9 ± 3.0) kHz, η = 0.17 ± 0.02 for the O-D bond. The deuteron polarization reaches around 40% and is determined with a relative error less than 10%. A possible application of the dynamic polarization method to the study of molecular structure is discussed.