ISSN

0974-4150 (Online)
0974-4169 (Print)


Author(s): Hadeel K. Mohammed, Adil N. Ayyash

Email(s): adilnameh7878@gmail.com

DOI: 10.5958/0974-4150.2019.00051.8   

Address: Hadeel K. Mohammed, Adil N. Ayyash
*Department of Physics, College of Science, University of Anbar, Anbar, Iraq.
*Corresponding Author

Published In:   Volume - 12,      Issue - 5,     Year - 2019


ABSTRACT:
A theoretical study has allowed of an organic compound, [N-(4-acetylphenyl) carbamothioyl)-2-chloroacetamide]. We use HF and DFT calculations to determine the vibrational modes. The HOMO–LUMO energies lead to estimate the value of energy gap of our compound. After that, we determined all modes of vibrations. The IR, NMR and UV-Visible spectra are determined by HF, DFT methods.


Cite this article:
Hadeel K. Mohammed, Adil N. Ayyash. Vibrational Spectroscopy, Molecular properties, IR, UV-Visible, NMR Spectra and (HF, DFT) Calculations of Organic Molecule. Asian J. Research Chem. 2019; 12(5):274-277. doi: 10.5958/0974-4150.2019.00051.8


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