The substituent effect on the photophysical and charge transport property of the non-planar dibenzo[a,m]rubicenes

The photophysical and charge transport property of five non-planar cyclopenta-fused polycyclic aromatic hydrocarbon including dibenzo[a,m]rubicene (molecule 1) and its derivatives are studied through density functional theory (DFT). The absorption and...

Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts

Anion-dependent structural variations and charge transport analysis of three 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts are reported. They exhibit pronounced photosensing behavior when illuminated using visible light.

Understanding the structural and charge transport property relationships for a variety of merocyanine single-crystals: a bottom up computational investigation

Merocyanines consist of electronic donor (D) and acceptor (A) subunits connected via a methine bridge. They are highly polar organic π-conjugated molecules investigated for their self-assembly and optoelectronic properties. The...