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Vibrational (UV and NMR) Analysis of 4-(Trifluoromethoxy) benzylbromide by Density Functional Theory Calculations


S.P. Saravanan, A. Sankar, K. Parimala
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The energy and oscillator strength are calculated by time-dependent density functional theory (TD-DFT) with the experimental findings for 4-(Trifluoromethoxy) benzylbromide (TMB). 13C and 1H NMR chemical shifts results were also compared with the experimental values. Both UV and NMR shielding values calculated using LSDA method with 3-21G basis set.

S.P. Saravanan, A. Sankar, K. Parimala


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Publication Details

Published in : Volume 3 | Issue 5 | July-August - 2017
Date of Publication Print ISSN Online ISSN
2017-08-31 2395-1990 2394-4099
Page(s) Manuscript Number   Publisher
296-299 IJSRSET173474   Technoscience Academy

Cite This Article

S.P. Saravanan, A. Sankar, K. Parimala, "Vibrational (UV and NMR) Analysis of 4-(Trifluoromethoxy) benzylbromide by Density Functional Theory Calculations", International Journal of Scientific Research in Science, Engineering and Technology(IJSRSET), Print ISSN : 2395-1990, Online ISSN : 2394-4099, Volume 3, Issue 5, pp.296-299 , July-August-2017.
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