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.

Authors and Affiliations

D. Gnanasoundar Iraiyadian
Faculty of Allied Health Sciences, Vinnayakka Mission University, Puducherry, Tamil Nadu, India
S. Joseph Vedhagiri
PG & Research Department of Physics, TBML College, Porayar, Tamil Nadu, India
M. Govindarajan
Auvaiyar Govt. College for Women, Karaikal, Tamil Nadu, India
K. Parimalad
PG & Research Department of Physics, Vivekanandha College of Arts and Sciences for women (Autonomous), Tiruchengode, Tamil Nadu, India

FT-IR, FT-Raman, NMR, DFT

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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. Available at doi : 10.32628/IJSRST1841315
Journal URL : http://ijsrst.com/IJSRST1841315

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