✦ LIBER ✦

Tensor correlation by 2D spin-diffusion powder NMR spectroscopy: determination of the asymmetry of the hydrogenbond potential in benzoic acid

✍ Scribed by P. Robyr; B.H. Meier; R.R. Ernst

Publisher: Elsevier Science
Year: 1991
Tongue: English
Weight: 705 KB
Volume: 187
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(91)80285-6

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✦ Synopsis

It is demonstrated that by two-dimensional spin-diffusion powder NMR spectroscopy it is possible to determine accurately relative interaction-tensor orientations. This technique is applied to the determination of the asymmetry of the potential for the proton exchange across the hydrogen bonds in crystalline benzoic acid. From the temperature dependence of the relative orientation of two carboxyl "C chemical-shielding tensors, the asymmetry of the double minimum potential could be determined to be 418k 128 J/mol.