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

Authors(2) :-S. Seshadri, M. Padmavathy

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.

Authors and Affiliations

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

DFT, FT-IR, FT-Raman, NMR, MEP.

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Publication Details

Published in : Volume 4 | Issue 4 | March-April 2018
Date of Publication : 2018-04-30
License:  This work is licensed under a Creative Commons Attribution 4.0 International License.
Page(s) : 190-199
Manuscript Number : IJSRSET1841432
Publisher : Technoscience Academy

Print ISSN : 2395-1990, Online ISSN : 2394-4099

Cite This Article :

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.
Journal URL : http://ijsrset.com/IJSRSET1841432

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