Fig. 5
From: Unraveling substituent effects on the glass transition temperatures of biorenewable polyesters
Stationary point characterization. Structures and relative energetics (in kcal/mol) of the highlighted stationary points on the 2D rotational PES depicted in Fig. 3c for the monomethyl-(2b, 2e) and dimethyl-(2c, 2f) substituted model compounds. The analogous barriers for the unsubstituted compounds in each series were omitted for clarity and determined to be +2.01 (TS1), +2.42 (TS2), +2.78 (TS3) for 2a and +1.38 (TS1), +1.38 (TS2) for 2d. The energetically unfavorable steric strain between ester groups and methyl substituents are indicated with red circles
