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

Authors

  • 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

Keywords:

FT-IR, FT-Raman, NMR, DFT

Abstract

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.

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International Journal of Scientific Research in Science and Technology

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Published

2018-03-30

Issue

Volume 4, Issue 5, March-April-2018

Section

Research Articles

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This work is licensed under a Creative Commons Attribution 4.0 International License.

How to Cite

[1]
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), Online ISSN : 2395-602X, Print ISSN : 2395-6011, Volume 4, Issue 5, pp.346-352, March-April-2018.