Research Article

Photosynthetic Pigments with Potential for a Photosynthetic Antenna: A DFT Analysis

Table 1

Molecular size of pigments under study.

Molecule or combination maximum length (Å) maximum length (Å) maximum length (Å)Molar volume (Å3)

CHLA12.215.38.6780.9
CHLB12.315.58.7660.1
BCRY130.86.15.0786.7
BCRY230.76.15.3898.1
ZEA131.36.45.8750.8
ZEA231.36.66.1848.3
LUT29.97.36.1964.2
VIO27.49.66.4870.5
NEO28.47.26.7734.6
9NEO24.310.26.7847.1
BCRY-Hex30.76.15.2866.8
BCRY-Et2O30.76.15.2798.8
BCRY-Ace30.76.15.2907.9
BCRY-EtOH30.76.15.2783.2
BCRY-MeOH30.76.15.2827.0
ZEA-Hex31.36.66.0877.5
ZEA-Et2O31.36.66.0805.9
ZEA-Ace31.36.56.0796.9
ZEA-EtOH31.46.65.8707.6
ZEA-MeOH31.36.56.0796.5

The utilized functionals were 1B3P86 and 2CAM-B3LYP.