Butamben

In the area of liquid crystalline compounds, development of low temperature liquid crystals (LTLCs) remained stimulating.One of the significant challenges in the development of LTLCs is maintaining stability in the desired liquid crystalline phase while preventing crystallization at low temperaturesIn this context, the present manuscript describes the synthesis of a series of new LCs (n-alkyl 4-((4-decyloxy)-2 hydroxy benzylidene)amino)benzoates, bearing two rings linked by imine linkage.One aromatic ring carries decyloxy chain while the other carries ester moiety with systematically varied alkoxy chains.New mols. revealed enantiotropic smectic-A behavior below 117°C studied initially by POM and confirmed by DSC anal.Further, the VT-XRD showed the parallel mol. arrangement of SmA phase.Addnl., computational analyses using D. Functional Theory were conducted to investigate aspect ratio, dipole moment, mol. polarizability and their correlation with thermal stability.Mol. electrostatic potential mapping was applied to understand the influence of alkoxy chain length on distribution of charges and interactions between mols.Frontier MOs anal. provided insights into HOMO-LUMO energy levels, chem. hardness (η) and global softness (S).These combined exptl. and computational approaches will facilitate a deeper understanding of the structure-property relationships that govern the mesomorphic behavior of salicylaldimine liquid crystals, with a focus on optimizing mol. design for advanced liquid crystalline applications.