Table 1.
DBA/solvent | |V|(cm-1)b | ΔrG (eV)b | λS (eV)26 | Pop.a |
---|---|---|---|---|
D-SSS-A/H2O | 35 ± 6 | -0.66 ± 0.02 | 1.42 | 63:37 |
D-SRR-A/H2O | 12 ± 2 | -0.54 ± 0.01 | 1.12 | 63:37 |
D-SSS-A/DMSO | 11 ± 2 | -0.55 ± 0.01 | 1.12 | 65:35 |
D-SRR-A/DMSO | 13 ± 2 | -0.36 ± 0.01 | 0.91 | n/d |
Population ratio of two amide rotamers at 330 – 333K
Error shows effect of a ±0.1 eV variation in λS