Impact of N-substitution on structural, electronic, optical, and vibrational properties of a thiophene-phenylene co-oligomer.

ABSTRACT: Properties of the organic semiconductors can be finely tuned via changes in their molecular structure. However, the relationship between the molecular structure, molecular packing, and (opto)electronic properties of the organic semiconductors to guide their smart design remains elusive. In this study, we address computationally and experimentally the impact of subtle modification of a thiophene-phenylene co-oligomer CF₃-PTTP-CF₃ on the molecular properties, crystal structure, charge transport, and optoelectronic properties. This modification consists in the substitution of two C-H atom pairs by N atoms in the thiophene units and hence converting them to thiazole units. A dramatic effect of the N-substitution on the crystal structure-the crossover from the herri

SUBMITTER: Trukhanov VA 

PROVIDER: S-EPMC9055666 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature