Exploration of a 7.O4O.7 dimeric liquid crystal using temperature-dependent Raman spectroscopy and comparison with density functional theory

All theoretical calculations conducted for the study utilised the Gaussian 09 software package. Gauss View 06 and VEDA 4 were employed for the analysis and visualisation of the compounds. The compound had been tuned for optimal performance using the B3LYP functional with the 6-31G (d,p) basis set. Experimental Raman spectroscopy was conducted using the Horiba Lab RAM HR Evolution Raman Spectrometer to obtain temperature-dependent Raman spectra.