Molecular Organization in Polar Nematic Phases: A Combined FTIR Spectroscopy and Molecular Simulation Approach

Key Points

• This research aims to explore the molecular organization and intermolecular interactions in polar nematic phases.
• Utilized combined FTIR spectroscopy and molecular simulations to analyze molecular structures.
• Investigated ferroelectric (NF) and antiferroelectric (NX) phases under various conditions.
• Identified distinct molecular arrangements in NF and NX phases.
• Analyzed the intermolecular interactions contributing to the stability of these phases.