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) |
| CHLA | 12.2 | 15.3 | 8.6 | 780.9 | CHLB | 12.3 | 15.5 | 8.7 | 660.1 | BCRY1 | 30.8 | 6.1 | 5.0 | 786.7 | BCRY2 | 30.7 | 6.1 | 5.3 | 898.1 | ZEA1 | 31.3 | 6.4 | 5.8 | 750.8 | ZEA2 | 31.3 | 6.6 | 6.1 | 848.3 | LUT | 29.9 | 7.3 | 6.1 | 964.2 | VIO | 27.4 | 9.6 | 6.4 | 870.5 | NEO | 28.4 | 7.2 | 6.7 | 734.6 | 9NEO | 24.3 | 10.2 | 6.7 | 847.1 | BCRY-Hex | 30.7 | 6.1 | 5.2 | 866.8 | BCRY-Et2O | 30.7 | 6.1 | 5.2 | 798.8 | BCRY-Ace | 30.7 | 6.1 | 5.2 | 907.9 | BCRY-EtOH | 30.7 | 6.1 | 5.2 | 783.2 | BCRY-MeOH | 30.7 | 6.1 | 5.2 | 827.0 | ZEA-Hex | 31.3 | 6.6 | 6.0 | 877.5 | ZEA-Et2O | 31.3 | 6.6 | 6.0 | 805.9 | ZEA-Ace | 31.3 | 6.5 | 6.0 | 796.9 | ZEA-EtOH | 31.4 | 6.6 | 5.8 | 707.6 | ZEA-MeOH | 31.3 | 6.5 | 6.0 | 796.5 |
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The utilized functionals were 1B3P86 and 2CAM-B3LYP.
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