Diyala Journal for Pure Science
Scientific Refereed Journal Published By College of Science - University of Diyala
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Diyala Journal for Pure Science DJPS
P- ISSN:2222-8373, E-ISSN:2518-9255
Volume 17, Issue 4 , October 2021
Synthesis, Characterization and Computational Study of Discotic Liquid Crystal Compounds
Hussein Abood Idham, Hanaa Kaain Salih and Ibtisam Khalifa Jassim
Year: 2021, Volume: 17, Issue 4
Pages: 65-81 , DOI: https://dx.doi.org/10.24237/djps.17.04.567C
Discotic liquid crystal compounds were synthesized and characterized. Liquid crystalline texture of these compounds was investigated by polarized optical microscopy (POM). The Hartree-Fock approximation (HF) was used to calculate theoretical molecular parameters for synthesized compounds such as optimization, hardness, EHOMO, ELUMO, and energy gap using the Gaussian 09W program.
Keywords: Liquid Crystals, Discotic Liquid Crystals, Computational Chemistry, Hartree-Fock.