TABLE 2.
Electrostatic properties of WT-PYP, E46Q, and L-PYP
| Overall fit | Main transition | Red transition | ||||
|---|---|---|---|---|---|---|
 (D) |
 (Å3) |
 (D) |
 (Å3) |
 (D) |
 (Å3) |
|
| WT-PYP | 25 ± 3 | 990 ± 180 | 26 ± 1 | 1020 ± 150 | 10 ± 4 | 2000 ± 500 |
| E46Q | 20 ± 2 | 950 ± 160 | 22 ± 4 | 1200 ± 260 | 12 ± 4 | 2400 ± 900 |
| L-PYP | 13 ± 1 | 150 ± 30 | – | – | – | – |
Values of 
are in Debye and 
in Å3. These electrostatic properties include an enhancement due to an internal (reaction and cavity) field factor, f, that depends on the polarity of the environment. The 
and 
values obtained from the fit to the overall absorption lineshape are reported in the first two columns. The results from the fits obtained by separating out the absorption of the red photoproduct (PYPB for WT-PYP and E46QB for E46Q) from the main absorption band are shown in the respective columns labeled Red transition for PYPB and E46QB and Main transition for the dark-state species for WT-PYP (pG) and E46Q. The electronic properties for L-PYP are for the dark-state species corresponding to the main transition.