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Ditetradecyl selenide, (C 14 H 29 ) 2 Se, a new chemical shift reference compound for 77 Se NMR
Author(s) -
Doudin Khaled I.,
Frøystein Nils Åge,
Songstad Jon
Publication year - 2000
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/1097-458x(200011)38:11<975::aid-mrc755>3.0.co;2-l
Subject(s) - chemistry , selenide , acetonitrile , solvent , chemical shift , dimethyl sulfoxide , methanol , proton nmr , atmospheric temperature range , organic chemistry , selenium , physics , meteorology
Ditetradecyl selenide, (C 14 H 29 ) 2 Se, is suggested as an alternative to Me 2 Se as a reference compound for 77 Se NMR in organic solvents. This selenide, a crystalline, non‐odorous and stable compound, is readily prepared and purified and is sufficiently soluble in most of the usual organic solvents at room temperature to give a satisfactory 77 Se signal; in methanol, acetonitrile and dimethyl sulfoxide temperatures above ∼310 K are required. The chemical shifts, +162.3 ppm in CDCl 3 at 298 K relative to a 60% solution of Me 2 Se in CDCl 3 , defined as 0.0 ppm, and +167.2 ppm relative to a 0.25 M solution of Me 2 Se in CDCl 3 , is independent of the concentration in the 0.01–0.40 M range. The shift in CDCl 3 increases fairly linearly with temperature in the 270–345 K range with a slope of ∼0.075 ppm K −1 . The shift appears to be less dependent upon the solvent than the shift of Me 2 Se. Copyright © 2000 John Wiley & Sons, Ltd.