Quinoline-Based Materials: Spectroscopic Investigations as well as DFT and TD-DFT Calculations
Table 1
Selected optimized geometrical parameters (bond length (BL) in Å and bond angle (BA) and dihedral angle (DA) in degree) computed for DDP and DDPA in the gaseous state at the ground (S0) and initial excited state (S1) employing the B3LYP/6-31G (d) level of theory. For labeling, refer to Figure 1.
