Excited state proton transfer in 1 : 1 complexes of 2-(oxazol-2-yl)-3-hydroxychromone with water

Key Points

• This study aims to investigate the dynamics of excited state proton transfer in 2-(oxazol-2-yl)-3-hydroxychromone complexes with water.
• Extend previous theoretical analyses of excited state proton transfer.
• Examine low-lying conformers of 2-(oxazol-2-yl)-3-hydroxychromone.
• Analyze the role of water in mediating proton transfer.
• Identified significant dynamics of proton transfer influenced by conformational changes.
• Demonstrated the importance of water as a mediator in the excited state.