Design, synthesis, experimental and theoretical studies on hydrogen bond liquid crystal complexes (HBLC) derived from α, ω-dicarboxylic acid and alkyloxy benzoic acids

Abstract

Novel hydrogen bond liquid crystal (HBLC) complexes are prepared from the combination of non-mesogenic (α, ω-dicarboxylic acid) 2, 2-Dimethylsuccinic acid (DMSA) and liquid crystalline 4-n-alkyloxybenzoic acids (nOBA, n = 7 to 12). Mesogenic behavior of all complexes is analyzed by polarized optical microscope (POM) along with their thermal properties using differential scanning calorimeter (DSC). The microstructure of DMSA + 11OBA HBLC complex is observed by Field emission-scanning electron microscope (FE-SEM). The molecular geometry of DMSA + 7OBA HBLC complex is optimized. Intermolecular H-bonding of complexes is evinced using experimental and theoretical Fourier transform infrared spectroscopy (FTIR). Natural bonding orbitals (NBO) study supported the occurrence of H-bonds.

GRAPHICAL ABSTRACT

Keywords:

• DFT calculation
• HBLC
• MEP analysis
• POM
• Sm C

Acknowledgments

One of the authors, V.N. Vijayakumar, acknowledges the financial support of the UGC-DAE, CSR-CRS/2022-23/04/887 dated15.05.2023, Department of Science and Technology (No. SERB/F/7454/2013-2014, dated February 21, 2014), New Delhi, and the Department of Atomic Energy (No. 34/14/14/2016-BRNS/34039, dated April 22, 2016), the Board of Research in Nuclear Science (DAE-BRNS), TNSCST/RFRS/VR/19/2018-2019/7666, dated June 6, 2019, TNSCST/RFRS/PS/VR/09/2020-2021/Dtd:27.04.2023 and infrastructural support provided by the Bannari Amman Institute of Technology, Sathyamangalam. We acknowledge NMR facility, CIC, Bharathiar University supported by DST (PURSE Phase II programme), New Delhi. The authors are grateful to Dr. R. Jayaprakasam (Rtd), Associate Professor, Department of Chemistry, Bannari Amman Institute of Technology, Sathyamangalam for his constant support.

Disclosure statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

This work was supported by UGC-DAE Consortium for Scientific Research, University Grants Commission.