Fig. 4 | Nature Communications

Fig. 4

From: Short contacts between chains enhancing luminescence quantum yields and carrier mobilities in conjugated copolymers

Fig. 4

Theoretical calculations of excited states at close contact points. a Radial distribution functions for various interchain coupling motifs for IDT-H2BT and TIF-H2BT. b Absorption intensity for the closest interchain coupling motif for TIF-H2BT, shown below. For various model geometries for the close crossing of two polymer chains, transition densities for absorption features are shown: the CT formed at an interchain separation of 3.4 Å (c), and the pinned ICT (d), ICT (e), and \(\pi \to \pi ^ \ast\) (f) transitions at various geometries in the range 3.4–4.0 Å

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