Page 14496: In Figure 4, a plot of energy versus C-C-N-C dihedral angle was shown. The corrected version of Figure 4, with a plot of energy versus O-C-N-C dihedral angle is shown below. Figure (Figure presented.) Rotational barriers for twisted amides 1–3 and 4 (N,N-dimethyl-acetamide; ΔE kcal mol−1 vs. O-C-N-C [°]). For expanded plots, ΔE vs. C-C-N-C for amides 1–4, see the Supporting Information. Page 14496: For amides 1 (R=Me, Ph, t-Bu), the energy reaches maximum at 0° (t-Bu) or at −10° (R=Me, Ph). The rotational barrier was determined to be 6.56 kcal mol−1 (R=Me), 13.73 kcal mol−1 (R=Ph), and 12.50 kcal mol−1 (R=t-Bu). N,N-Dimethylacetamide shows energy minimum at 0°, and rotational barrier of 19.52 kcal mol−1. In the Supporting Information, expanded Charts SI1–SI7 show plots of energy versus C-C-N-C dihedral angles.
All Science Journal Classification (ASJC) codes
- Organic Chemistry