Design and Theoretical Study of D–A–π–A Organic Sensitizers with [1,2,5]Thiadiazolo[3,4-c]pyridine, [1,2,5]Selenadiazolo[3,4-c]pyridine, and [1,2,5]Oxadiazolo[3,4-c]pyridine π Component

Figure 2

Relationships between (ChemoSophia Elastic Model) and (DFT B3LYP 6-311G(d,p)) (a) for [1,2,5]oxadiazolo[3,4-c]pyridine; (b) for [1,2,5]thiadiazolo[3,4-c]pyridine and [1,2,5]selenadiazolo[3,4-c]pyridine.

(a)

(b)