Thermodynamics of halogen bonded monolayer self-assembly at the liquid-solid interface

Area of Science:

• Surface science
• Physical chemistry
• Materials science

Background:

• Molecular self-assembly is crucial for creating ordered structures at interfaces.
• Understanding interfacial thermodynamics informs material design and chemical processes.
• Aromatic molecules with specific symmetries offer unique self-assembly properties.

Purpose of the Study:

• To investigate the monolayer self-assembly of a hexabrominated aromatic molecule.
• To determine the thermodynamic driving forces, including solvent effects, of this self-assembly process.
• To compare experimental thermodynamic data with theoretical entropy estimates.

Main Methods:

• Utilizing an adapted Born-Haber cycle to calculate enthalpy changes.
• Studying self-assembly at the heptanoic acid-graphite interface.
• Comparing derived enthalpy changes with theoretical entropy estimations.

Main Results:

• The study successfully characterized the monolayer self-assembly of the target molecule.
• The adapted Born-Haber cycle provided key thermodynamical insights, including solvent effects.
• A minor influence of solvation on the overall enthalpy change was observed.

Conclusions:

• The self-assembly process is primarily governed by enthalpy changes.
• Solvation plays a limited role in the thermodynamics of this specific molecular assembly.
• The findings contribute to the fundamental understanding of interfacial molecular organization.