V-Shaped Troger Oligothiophenes Boost Triplet Formation by CT Mediation and Symmetry Breaking.

ABSTRACT: A new family of molecules obtained by coupling Tröger's base unit with dicyanovinylene-terminated oligothiophenes of different lengths has been synthesized and characterized by steady-state stationary and transient time-resolved spectroscopies. Quantum chemical calculations allow us to interpret and recognize the properties of the stationary excited states as well as the time-dependent mechanisms of singlet-to-triplet coupling. The presence of the diazocine unit in Tröger's base derivatives is key to efficiently producing singlet-to-triplet intersystem crossing mediated by the role of the nitrogen atoms and of the almost orthogonal disposition of the two thiophene arms. Spin-orbit coupling-mediated interstate intersystem crossing (ISC) is activated by a symmetry-breaking process in the fir

SUBMITTER: Medina Rivero S 

PROVIDER: S-EPMC10839832 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature