TABLE I.
System | C5 | C9 | C13 |
---|---|---|---|
Ground state 2H-NMRa | 70 ± 3 | 128 ± 3 | 68 ± 2 |
Ground state simulationb,c | 75 ± 11 | 129 ± 11 | 59 ± 14 |
Postisomerization simulationc,d | 137 ± 15 | 80 ± 35 | 67 ± 15 |
NMR data from Salgado et al.29 Note that the bond orientation θ was not distinguished from its supplement π − θ in the NMR measurements. Errors correspond to inverse curvature matrix of the χ2 hypersurface utilized for the nonlinear regression fits.
40-ns Dark-adapted state simulation data from our previous work in Ref. 20.
Errors correspond to the standard deviation from the average values given.
150-ns Postphotoisomerization simulation data from this work.