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Isotope Effects on the17O,1H Coupling Constant and the17O–{1H} Nuclear Overhauser Effect in Water

✍ Scribed by Nickolai M. Sergeyev; Natalia D. Sergeyeva; William T. Raynes

Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
65 KB
Volume
137
Category
Article
ISSN
1090-7807

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✦ Synopsis

The NMR spectra of solutions of 30% 17 O-enriched H 2 O and D 2 O in nitromethane display the resonances of the three isotopomers H 2 O, HDO, and D 2 O. All 17 O, 1 H and 17 O, 2 H coupling constants and the primary and secondary isotope effects on J( 17 O, 1 H) have been determined. The primary effect is ؊1.0 ؎ 0.2 Hz and the secondary effect is ؊0.07 ؎ 0.04 Hz. Using integrated intensities in the 17 O NMR spectra, the equilibrium constant for the reaction H 2 O ؉ D 2 O º 2HDO is found to be 3.68 ؎ 0.2 at 343 K. From the relative integrated intensities of proton-coupled and -decoupled spectra the 17 O-{ 1 H} NOE is estimated for the first time, resulting in values of 0.908 and 0.945 for H 2 O and HDO, respectively. This means that dipole-dipole interactions contribute about 2.5% to the overall 17 O relaxation rate in H 2 O dissolved in nitromethane.

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