Structure, characterization and DFT studies of 1,2- Dichloro-4-fluoro-5-Nitrobenzene
Keywords:
DFT, FT-IR, FT-Raman, NMR, MEP.Abstract
The 1,2-Dichloro-4-fluoro-5-Nitrobenzene (DFNB) subjected to density functional theory (DFT) studies using B3LYP/6-31+G(d,p) method. Characterization was done by FT-IR, FT-Raman and NMR (13C and 1H) spectroscopic techniques. Molecular electrostatic potential (MEP) study was also determined.
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