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. 2020 Jul 23;16:1837–1852. doi: 10.3762/bjoc.16.151

Table 3.

Amide-rotation velocity in the model compounds.a

graphic file with name Beilstein_J_Org_Chem-16-1837-i011.jpg

compound kcis-to-trans, Hz
in D2O, ε 80.1
(310 K)
in CD2Cl2, ε 8.9
(298 K)
in C6D6, ε 2.3
(298 K)

graphic file with name Beilstein_J_Org_Chem-16-1837-i012.jpg 0.033 ± 0.002 0.033 ± 0.002b 0.043 ± 0.004
Inline graphic
1
0.041 ± 0.004 0.187 ± 0.003 0.463 ± 0.034
Inline graphic
2
0.087 ± 0.009 0.220 ± 0.016 0.556 ± 0.027
Inline graphic
3
0.131 ± 0.008 0.690 ± 0.019 2.44 ± 0.07
Inline graphic
4
0.060 ± 0.006 0.265 ± 0.007 0.855 ± 0.031

aMeasured by 1H and 19F EXSY NMR. Few spectra with different mixing times were measured. The exchange rate values were calculated from various exchange resonances and averaged. Their root mean deviation from the mean value is provided. The k values were converted to the energy barriers using the Eyring equation. The error in E takes into account the standard deviation in the k values, and does not take into account the temperature calibration error. bThe value is for CDCl3, ε 4.8.