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(17O) Oxygen NMR

Oxygen has one naturally occurring NMR active nucleus, 17O. It has a spin of 5/2 and is therefore quadrupolar, yielding broad signals even for the smallest of molecules that become too broad to observe in a high resolution spectrometer even for medium sized molecules. The isotope 17O has a very low natural abundance of 0.038% combined with a relatively low receptivity and so is only observable for high concentrations (at least molar) or when enriched (very expensive, currently over $1000/mL of H217O, never mind anything more complicated). 17O has a very wide chemical shift range which for small molecules partially compensates for its broad signals. Each type of signal has a characteristic chemical shift range (figs. 1, 2).

Fig. 1. Chemical shift ranges for 17O NMR

Chemical shifts of oxygen

Fig. 2. 17O-NMR spectrum of D2O (peak on the left) and CD3OD (right)

Oxygen spectrum

Properties of 17O

(Click here for explanation)

PropertyValue
Spin5/2
Natural abundance0.038%
Chemical shift range1160 ppm, from -40 to 1120
Frequency ratio (Ξ)13.556457%
Reference compoundD2O
Linewidth of reference69 Hz
T1 of reference0.02 s
Receptivity rel. to 1H at natural abundance1.11 × 10-5
Receptivity rel. to 1H when enriched0.0291
Receptivity rel. to 13C at natural abundance0.0650
Receptivity rel. to 13C when enriched171
Linewidth parameter2.1 fm4

Safety note

Some of the materials mentioned here are very dangerous. Ask a qualified chemist for advice before handling them. Qualified chemists should check the relevant safety literature before handling or giving advice about unfamiliar substances. NMR solvents are toxic and most are flammable. Specifically, D2O is toxic.