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Structural analysis of 4-(Trifluoromethyl) Phenylacetonitrile : FT-IR, FT-Raman and NMR Approaches

Authors(4) :-D. Gnanasoundar Iraiyadian, S. Joseph Vedhagiri, M. Govindarajan, K. Parimalad

In the present work, 4-(Trifluoromethyl)phenylacetonitrile (4TFMNB) has been characterized by FT-IR, FT-Raman and NMR (13C and 1H) analysis. Most of the vibrational assignments of FT-IR and FT-Raman spectra predicted using density functional theory (DFT) approach match well with the experimental findings. The 13C and 1H NMR chemical shifts of the molecules are calculated by the gauge independent atomic orbital (GIAO) method and compared with experimental results.
D. Gnanasoundar Iraiyadian, S. Joseph Vedhagiri, M. Govindarajan, K. Parimalad
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Publication Details
  Published in : Volume 4 | Issue 5 | March-April 2018
  Date of Publication : 2018-03-30
License:  This work is licensed under a Creative Commons Attribution 4.0 International License.
Page(s) : 346-352
Manuscript Number : IJSRST1841315
Publisher : Technoscience Academy
PRINT ISSN : 2395-6011
ONLINE ISSN : 2395-602X
Cite This Article :
D. Gnanasoundar Iraiyadian, S. Joseph Vedhagiri, M. Govindarajan, K. Parimalad, "Structural analysis of 4-(Trifluoromethyl) Phenylacetonitrile : FT-IR, FT-Raman and NMR Approaches", International Journal of Scientific Research in Science and Technology(IJSRST), Print ISSN : 2395-6011, Online ISSN : 2395-602X, Volume 4, Issue 5, pp.346-352, March-April-2018
URL : http://ijsrst.com/IJSRST1841315