TABLE 1.
Parameter | Value | Mean deviation |
---|---|---|
Radius (with respect to Mg-atoms - z-axis) | 22.75 Å | ±0.6 Å (along x-axis) |
±0.7 Å (along y-axis) | ||
Distance between chlorins in stacks (Mg-Mg distance; along z-axis in a stack) | 6.4 Å | ±0.2 Å |
Shift between neighbors stacks along z-axis | 2.16 Å | ±0.16 Å |
Angle* between transition dipole moment vector and symmetry axis (α) | 36.5° | ±1.5° |
Angle* between transition dipole moment vector and radius-vector connecting Mg-atom and z-axis (β) | 280° | ±4.3° |
Number of stacks per rod aggregate | 18 | – |
The angle definitions correspond to those in a spherical coordinate system which the z-axis coinciding with the symmetry axis of the aggregate (z-axis).