Abstract
The novel binaryliquid crystal mixture is designed and synthesized from 4-methoxycinnamic acid (MCA) and 4-ethoxycinnamic acid
 (ECA). Quantum chemical (DFT) calculation for MCA+ECA geometry is optimized by DFT/B3LYP with 6-311G (d, p) basis set and its
 results are good agreement with experimental data. Fourier-transform infrared spectroscopic(FT-IR) study confirm the presence of
 intermolecular hydrogen bond in the liquid crystal mixture .The paramorphic changes in nematic phase and thermo-optic properties
 of binary liquid crystal mixture isanalyzed using polarizing optical microscope (POM) and differential scanning calorimetry (DSC)
 techniques. A noteworthy observation in the present liquid crystal mixture possesses smectic A phase along with nematic phases.
 Intermolecular hydrogen bond interaction and it’s stabilization energy of present mixture is studied by natural bond orbital (NBO)
 analysis. Due to the transition,the presen tliquid crystal mixtur einduces smecticA phase. The molecular properties of presen t binary liquid crystal mixtureis analyzed by HOMO-LUMO and experimental UV-Visible studies. Thermal spanwidth, stability factor and quantum chemical properties of the liquid crystal mixture are calculated.Molecular electrostatic potential, mulliken atomic
 charge distribution of the optimized MCA+ECA geometry is also reported.
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.
