Conformation-driven (de)localization of exciton in 2-Phenylpyridine oligomers: Non-adiabatic surface hopping dynamics

Key Points

• This research aims to understand how excitons behave in different conformations of 2-Phenylpyridine oligomers.
• Analyzed two types of oligomers: linear pentamer and helical structure.
• Employed non-adiabatic surface hopping dynamics simulations.
• Examined excited-state relaxation processes in both oligomers.
• Identified distinct exciton localization and delocalization behaviors between linear and helical oligomers.
• Noted significant differences in excited-state relaxation time depending on oligomer conformation.