Deuteron magnetic resonance studies. Part 2.—Cupric acetate hydrate-d16
- 1 January 1970
- journal article
- Published by Royal Society of Chemistry (RSC) in Transactions of the Faraday Society
- Vol. 66, 1039-1051
- https://doi.org/10.1039/tf9706601039
Abstract
Deuteron magnetic resonance has been detected in single crystals of [Cu(CD3CO2)2D2O]2; the CD3 quadrupole splitting is consistent with CD3 groups undergoing free or hindered rotation about the C—C bond, the deuteron quadrupole coupling constants and asymmetry parameters being 55.6 kHz and 0.127 at 77 K and 55.5 kHz and 0.128 at 273 K . The finite asymmetry parameter is explained in terms of polarization of the C—D bond by the charge distribution of the molecule. The best value at present in this molecule for the C—D quadrupole coupling constant in the static CD3 group is near 168 kHz, with an uncertainty of at least ±10 kHz; the bond is probably not axially symmetric with η near 0.05. In CD3X, the deuteron quadrupole coupling constant shows a marked dependence on the substituent X.Keywords
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