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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 34, Number 10
BKCSDE 34(10)
October 20, 2013 

 
Title
Deuterium Naturally Present in Solvent and Site-Specific Isotope Population of Deuterium-Enriched Solute
Author
Ryeo Yun Hwang, Oc Hee Han*, Juhee Lee, Eun Hee Kim
Keywords
NMR spectroscopy, Deuterium, Isotopes, Alcohol, Proton exchange
Abstract
As the concentration of aqueous CD3OH solutions was decreased, the OD peaks in 2H NMR spectra grew relative to the CD3 peaks. Isotope impurity for OH groups of CD3OH and deuterium naturally present in water contributed to the OD peaks. Using these peak area data, the site-specific isotope populations of isotope enriched chemicals were measured. In addition, the method using both 1H and 2H NMR spectroscopy was demonstrated with neat CD3OH to measure the site-specific isotope populations. The results indicate that although it represents only ~0.015% of hydrogen isotopes, the deuterium naturally present in solvents cannot be ignored, especially when the concentration of deuterium-enriched solutes is varied. Proton/deuteron exchange between methyl and methyl/hydroxyl groups was confirmed to be negligible, while that among hydroxyl groups was detectable.
Page
2959 - 2962
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