Figure 2 | Photophysical and crystallographic properties in aggregates. (IMAGE)
Caption
Figure 2 | Photophysical and crystallographic properties in aggregates. a PL spectra of PDBP-b,i in solution and solid powders. Structural information for b PDBP-b,i in crystal (Left: Packing structures; Right: Intermolecular interaction. H-atoms were omitted for clear). c ESP surface of PDBP-b,i ranging from 20 to −20 kcal mol−1, where positive one represents electron-rich and negative one represents electron-deficient. d Intermolecular interactions with 2D fingerprint plots defined by (di, de) pairs. The blue color stands for a small number of points and the yellow stands for a large number of points. e Huang-Rhys factors and f reorganization energies S1 → S0 of PDBP-b,i in solution and aggregates. (right: vector of vibration corresponding to the normal mode)
Credit
Zhiming Wang et al.
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