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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 2. Total energy of azoxy-based LC
| No. | Compd. Name | E (Hartree) |
| 1 | p-azoxyanisole | -877.067 |
| 2 | p-azoxyphenetole | -955.702 |
| 3 | ethyl-p-azoxybenzoate | -1182.402 |
| 4 | ethyl-p-azoxycinnamate | -1337.230 |
| 5 | n-octyl-p-azoxycinnamate | -1387.760 |