Influence of the substitution pattern on exciton localisation in centrosymmetric quadrupolar dyes †

Key Points

• The research investigates how substitution patterns influence exciton localisation in quadrupolar dyes.
• Analyzed different substitution patterns in quadrupolar dyes
• Examined their effect in polar environments
• Utilized computational simulations to measure exciton characteristics
• Identified significant dependence of exciton localisation on substitution patterns
• Demonstrated that certain patterns enhance localisation of electronic excitations
• Found that excited-state symmetry breaking plays a crucial role in the behaviour of quadrupolar dyes