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    (45Sc) Scandium NMR 45Scandium NMR Properties of 45Sc Safety note
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  • Properties of 45Sc
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(45Sc) Scandium NMR

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45Scandium NMR

45Scandium (45Sc) is a high sensitivity nucleus but with a 100% natural abundance that yields broad lines even in symmetric environments over a wide chemical shift range. 45Sc is a spin 7/2 nucleus and is therefore quadrupolar. As a result, the signal width increases with asymmetry of the environment. Fig. 1 shows the 45Sc NMR spectrum of scandium triflate in methanol-d4. The natural linewidth in this spectrum at 500 MHz is approximately 3 kHz because it is quadrupolar. 45Sc NMR is rarely used because scandium is rare and has a limited chemistry and when it is used it is to study the chemical environment of the scandium. Each type of Scandium compound has its characteristic chemical shift (fig. 2).

Fig. 1. 45Sc NMR spectrum of Sc(CF3O3S)3 in CD3OD

45Sc spectrum

Fig. 2. Chemical shift ranges for scandium NMR (X = halide)

Chemical shifts of scandium

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Properties of 45Sc

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PropertyValue
Spin7/2
Natural abundance100%
Chemical shift range350 ppm, from -100 to 250
Frequency ratio (Ξ)24.291747%
Reference compound0.06 M Sc(NO3)3 in D2O
Linewidth of reference270 Hz
T1 of reference5 × 10-3 s
Receptivity rel. to 1H at natural abundance0.302
Receptivity rel. to 1H when enriched0.302
Receptivity rel. to 13C at natural abundance1780
Receptivity rel. to 13C when enriched1780
Linewidth parameter66 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, the toxicity of scandium salts are of unknown on account of their scandium under normal circumstances, however, their anions may be toxic.