Structure, Spectroscopic Measurement of 4-(Diethoxymethyl) benzaldehyde

Authors

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

Keywords:

DTMB, NMR, B3LYP

Abstract

The structural of 4-(Diethoxymethyl)benzaldehyde (DTMB) are determined by B3LYP method with 6-311++G** basis set. The fundamental vibrations are analyzed with the help of FT-IR (4000-400 cm-1) and FT-Raman (3500-100?cm-1) spectra. The theoretically calculated vibrational frequencies are compared with experimental FT-IR and FT-Raman frequencies. The 1H and 13C NMR spectra have been analyzed and compared with theoretical 1H and 13C NMR chemical shifts calculated by gauge independent atomic orbital (GIAO) method.

References

  1. N.R. Katti, M.R.Aralakkanvar, P.K. Jeergal, G.B. Kalkati, M.A. Shashidhar, Indian J Phys. Vol. 66B, 333, 1992.
  2. S. Mathew, S. Ahmed, P.K. Verma, Indian J Phys. Vol. 31, 644, 1993.
  3. M.J. Frisch et al., Gaussion 09 Program, Gaussian, Inc., Wallingford, CT, 2004.
  4. A.D. Becke, J. Chem. Phys., Vol.? 98, 5648, 1993.
  5. C. Lee, W. Yang, R.G. Parr, Phys. Rev., Vol. B7, 785, 1998.
  6. G. Keresztury, J.M. Chalmers, P.R. Griffiths (Eds.), Raman Specroscopy: Theory in Hand Book of Vibrational Spectroscopy, Vol. 1, John Wiley & Sons Ltd., New York,2002.?
  7. G. Keresztury, S. Holly, G. Besenyei , J. Varga, , A.Y. Wang, J.R. Durig, Spectrochim. Acta, Vol. 49A, 2007, 1993.?
  8. R.M. Silverstein, G.C. Bassler, T.C. Morrill, Spectrometric Identification of Organic Compounds, John Wiley, Chichester, 1991.
  9. G. Socrates, Infrared and Raman Characteristic Group Frequencies-Tables and Charts. third ed., Wiley, New York, 2001.
  10. S.P. Saravanan, A. Sankar, K. Parimala, J. Mol. Struc., Vol. 1127, 784, 2017.
  11. G. Varsanyi, Vibraional Spectra of Benzene Derivatives Academic Press, New York, 1969.
  12. S. Sebastian, N. Sundaraganesan, B. Karthikeiyan, V. Srinivasan, Spectrochim. Acta, Vol. 78A, 590, 2011.
  13. F.R. Dollish, W.G. Fateley, F.F. Bentley, Characteristic Raman Frequencies of Organic Compounds, John Wiley and Sons, New York, 1997.
  14. M. Szafran, A. Komasa, E.B. Adamska, J. Mol. Struct. (Theochem.), Vol. 827, 101, 2007.
  15. M.S. Rehat, S.A. El-Korashy, A.S. Ahmed, Spectrochim. Acta, Vol. 70A, 840, 2008.
  16. M.A. Palafora, J.L. Nunez, M. Gil, J. Mol. Struct. (Theochem.), Vol. 593, 101, 2002.
  17. A. Novak, Infrared and Raman Spectroscopy of Biological Molecule, 279, 1979.
  18. S.P. Saravanan, A. Sankar, K. Parimala, International Journal of Scientific Research in Science, Engineering and Technology, Vol. 5, 296, 2017.

International Journal of Scientific Research in Science and Technology

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Published

2018-02-28

Issue

Volume 4, Issue 2, January-February-2018

Section

Research Articles

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How to Cite

[1]
S. P. Saravanan, A. Sankar, K. Parimala "Structure, Spectroscopic Measurement of 4-(Diethoxymethyl) benzaldehyde" International Journal of Scientific Research in Science and Technology(IJSRST), Online ISSN : 2395-602X, Print ISSN : 2395-6011,Volume 4, Issue 2, pp.42-45, January-February-2018.