Back to Article

DFT-Based Study of Physical, Chemical and Electronic Behavior of Liquid Crystals of Azoxybenzene Group: <i>p</i>-azoxyanisole, <i>p</i>-azoxyphenetole, ethyl-<i>p</i>-azoxybenzoate, ethyl-<i>p</i>-azoxycinnamate and <i>n</i>-octyl-<i>p</i>-azoxycinnamate

Online Journal of Chemistry | Vol 1, Issue 1

Table 4. Energy of lowest unoccupiedmolecular orbital of azoxy-based LC

Compd. NameεLUMO (eV)
p-azoxyanisole-2.718
p-azoxyphenetole-2.668
ethyl-p-azoxybenzoate-3.640
ethyl-p-azoxycinnamate-3.806
n-octyl-p-azoxycinnamate-78.115