Solvent effect on the ⁷⁷Se NMR chemical shifts of diphenyl diselenides

Abstract

In this work, we have prepared some common diphenyl diselenide compounds and evaluated the solvent effect on the 77Se NMR chemical shift. Thus, 77Se NMR spectra of diphenyl diselenides containing...

Five Hypotheses on the Origins of Temperature Dependence of 77Se NMR Shifts in Diselenides

“…The calculations are consistent with the experiment: using DMSO results in a larger thermal shift difference between 1 and 3 than in toluene (Table and Table ). Bartz et al reported that there is a small solvent-dependent shift in disubstituted diselenides through a study of eight different deuterated solvents including DMSO- d 6 . Through computational and synthetic methods they reported that DMSO- d 6 and other polar solvents caused shielding of 77 Se chemical shifts at room temperature .…”

“…The calculations are consistent with the experiment: using DMSO results in a larger thermal shift difference between 1 and 3 than in toluene (Table 3 and Table 4). Bartz et al reported that there is a small solvent-dependent shift in disubstituted diselenides through a study of eight different deuterated solvents including DMSO- 39 Other reports show that both DMSO and toluene have small magnetic susceptibilities with heating �with an average chemical shift of 0.004 ppm seen when heating from 0 to 70 °C. 40 However, these energy differences to barrier height for the two species (∼0.3 kcal/mol) are very similar to that of the solvent changes (0.3−0.4 kcal/mol), suggesting these effects should be of similar magnitude, which they are not.…”

“…Bartz et al reported that there is a small solvent-dependent shift in disubstituted diselenides through a study of eight different deuterated solvents including DMSO- d 6 . Through computational and synthetic methods they reported that DMSO- d 6 and other polar solvents caused shielding of 77 Se chemical shifts at room temperature . Other reports show that both DMSO and toluene have small magnetic susceptibilities with heating with an average chemical shift of 0.004 ppm seen when heating from 0 to 70 °C …”

“…6 39. Through computational and synthetic methods they reported that DMSO-d 6 and other polar solvents caused shielding of77 Se chemical shifts at room temperature.…”

Cyclopropanation of Aryl and Styryl Acetonitriles With Selenium‐Based Dielectrophiles

“…The authors have cited additional references within the Supporting Information. [24][25][26][27][28][29][30][31][32][33][34]…”