Abstract
A comprehensive study combining detailed computational analyses with temperature-variable FT-IR experiments was performed in order to elucidate the structure of the hydrogen-bonded liquid crystals based on phloroglucinol and azopyridine in their mesophase. Conformational analysis revealed three relevant conformers: star, λ- and E-shape. The results demonstrate an entropy-driven unfolding mechanism of the assembly. The stability of the conformers is given by intermolecular π–π and dispersion interactions of the azopyridine side chains. Correlating the calculated vibrational frequency with experimental FT-IR spectra suggests a λ-folded conformation of the assemblies as the predominant species in the mesophase.
Highlights
The design of new materials such as polymers,[1] gels,[2] liquid crystals,[3] requires a detailed understanding of the structure– property relationships, which are ruled by a complex interplay of intermolecular forces
While the uorination on the PHG core unit tends to stabilise the nematic phase, mono- and di uorination on the arenes of the azopyridine component cause a change of the order of the mesogens, proving the impact of uorination on the properties of supramolecular liquid crystals (LCs)
The structure of hydrogen-bonded star mesogens based on phloroglucinol and azopyridines was investigated by a combination of density functional theory calculations and temperature-variable infrared spectroscopy
Summary
The design of new materials such as polymers,[1] gels,[2] liquid crystals,[3] requires a detailed understanding of the structure– property relationships, which are ruled by a complex interplay of intermolecular forces. They found smectic or columnar arrangements of the star mesogens.[25,26,27]
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
