Effect of selenium isotopes on selenium-77 nuclear shielding in diselenides
✍ Scribed by Willy Gombler
- Publisher
- Elsevier Science
- Year
- 1983
- Weight
- 413 KB
- Volume
- 53
- Category
- Article
- ISSN
- 0022-2364
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77Se-77Se spibspin coupling constants of unsymmetrically and, for the first time, of symmetrically substituted diselenides have beem measured for CF,SeSeCH, , CF,SeSeCF, , CF,SeSeCF2CI and CF,CISeSeCF,CI. A correlation of the 'J(SeSe) values with the average "Se shielding is found for perhalomethyl
## Abstract The ^34^S isotope effect on the chemical shift of P^III^ nuclei in P(SR)~3~ esters [R = Et, (C~12~H~25~)~n~, Ph] is close to 20.6 ppb per P^III^^34^S bond, i.e. 3–4 times larger than for thiolo sulphur atoms in S = P(SR)~3~ or O = P(SR)~3~. A similar behaviour is noted for the P(S)~3
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Accurate ab initio GIAO calculations of "Se chemical shieldings in SeHs, SeHCH3 and Se(CH,)2 are reported. The calculations closely reproduce the experimental relative chemical shifts of these molecules. The extension of the basis sets with p, d and f functions on the selenium atom improves the chem