Abstract: The quantum mechanical calcualtion were carried out on 4-Alkyl 4’-Cyano Biphenyls (C10H21-C6H5-C6H5-CN) using DFT. The IR spectra and Raman activities and its vibration association were discussed. The atomic charges with multipole moments were also computed and discussed.
Keywolds: Cyano Biphenyl, Liquid Crystals, Mesogen, IR Spectra, Raman Activities.
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DOI:
10.17148/IARJSET.2022.9104
How to Cite:
[1] Devesh Kumar, "Quantum Mechanical Study of 4-Alkyl 4’-Cyano Biphenyls: Part II: C10H21-C6H5-C6H5-CN," International Advanced Research Journal in Science, Engineering and Technology (IARJSET), DOI: IARJSET.2022.9104
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