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Selenium NMR

PHYSICAL PROPERTIES
 

Isotope
Natural 
Abundance
(%)
Nuclear
Spin
(I)
Magnetogyric
ratio
(107*rad/T*s)
Quadruple 
moment
(1028*Q/m2)
Resonance
frequency
(MHz)
at 11.744T
(500 MHz for 1H)
Relative 
sensitivity
(1H=1.00)
Absolute 
sensitivity
(1H=1.00)
77Se
7.63
1/2
5.1253857
0
95.338
6.93*10-3
5.25*10-4
 

APPLICATION FIELDS

 77Se NMR spectroscopy has been successfully applied on organometallic and inorganic selenium-containing compounds.
NMR REFERENCES
Me2Se in neat/benzene is a common standard (absolute frequency of 19.071513 MHz with respect to 100.00 MHz of TMS). In some cases, data is also referenced to Ph2Se2 in CDCl3 (463 ppm). Also see IUPAC recommendations for reporting the NMR chemical shits of all nuclei relative to the 1H resonance of TMS (02JMR323-156).
NMR PARAMETERS
  • 77Se chemical shifts (strong dependentce with temperature and solvent). Range between +2400ppm and -900ppm.
  • nJ(77Se,X) coupling constants can be measured with simplicity by analyzing the corresponding 77Se satellite lines.
  • Typical T1 values in the 1-30s range.
    • NMR EXPERIMENTS
  • 1D 77Se spectrum.
  • Variable temperature experiments for conformational studies.
  • 1D 1H-77Se HMQC experiment with proton detection ( 99MST170 ).
  • 2D 1H-77Se HMQC experiment with selenium detection ( 95MRC191 ).
  • 2D 1H-77Se HOESY experiment with selenium detection ( 93JOC5475 ).
  • 2D 13C-77Se HMQC experiment with selenium detection ( 93JOC5475 ).
  • Solid-state 77Se NMR.
    • BIBLIOGRAPHY
     More info on 77Se NMR spectroscopy in the following reviews: 95PROG1 , 96ENC4623 .
    Group VI NMR: B79HAR383, 00ENC722 .
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