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The selected bond lengths of the D-π-A dyes obtained by B3LYP/6-3IG level in the gas and solvent phases.
| Dye D-π-A |
Gas |
Solvent |
||
|---|---|---|---|---|
| Donor-coumarin (D-π) | Coumarin-acceptor (π- A) | Donor-coumarin (D-π) | Coumarin-acceptor (π- A) | |
| D1-CM-A1 | 1.45828 | 1.48176 | 1.45846 | 1.47925 |
| D2-CM-A2 | 1.45165 | 1.47547 | 1.45018 | 1.47548 |
| D3-CM-A3 | 1.48249 | 1.47883 | 1.48255 | 1.47852 |
| D4-CM-A4 | 1.45385 | 1.47194 | 1.45061 | 1.47111 |
| D5-CM-A5 | 1.48278 | 1.47072 | 1.48272 | 1.46485 |
| D6-CM-A6 | 1.45798 | 1.46551 | 1.45739 | 1.47049 |
