Structure, characterization and DFT studies of 1,2- Dichloro-4-fluoro-5-Nitrobenzene

Authors

  • S. Seshadri  Head & Associate professor in PG & Research Department of Physics, Urumu Dhanalakshmi College, Trichy, India
  • M. Padmavathy  Department of Physics, Shrimati Indira Gandhi College, Trichy, India

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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International Journal of Scientific Research in Science, Engineering and Technology

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Published

2018-04-30

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Volume 4, Issue 4, March-April-2018

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Research Articles

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[1]
S. Seshadri, M. Padmavathy, " Structure, characterization and DFT studies of 1,2- Dichloro-4-fluoro-5-Nitrobenzene, International Journal of Scientific Research in Science, Engineering and Technology(IJSRSET), Print ISSN : 2395-1990, Online ISSN : 2394-4099, Volume 4, Issue 4, pp.190-199, March-April-2018.