Theoretical evaluation of solvent effects on stability, aromaticity, and electronic properties of BN-PAHs

Key Points

• Evaluating solvent effects reveals notable changes in stability and electronic properties of BN-PAHs.
• The stability of BN-PAHs varies significantly across different solvent environments, impacting their aromaticity.
• Theoretical models explore how solvency influences electronic properties, shedding light on molecular interactions.
• Understanding these effects is crucial for designing new materials with enhanced stability in diverse solvents.