Structural study and spectroscopic investigations of N [3,5-Bis (trifluoromethyl) phenyl] thiourea
Keywords:
FT-IR, FT-Raman, B3LYPAbstract
The spectroscopic characterization of N [3,5-Bis (trifluoromethyl) phenyl] thiourea (BTU) was undertaken by FT-IR and FT-Raman spectroscopies, which was also used to interpreted in terms of fundamental bands. It is found that the experimental and the B3LYP/6-311G computed frequencies are in well agreement.
References
- Zhang Z and Schreiner P R 2009 Chem. Soc. Rev. 38 1187-1198.
- Kotke M and Schreiner P R 2009 in Hydrogen Bonding in Organic Synthesis, ed. P. M. Pihko, WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, 141-351.
- Hof K Lippert K M and Schreiner P R 2011 in Science of Synthesis-Asymmetric Organocatalysis, ed. K. Maruoka, Thieme, Stuttgart 297-412.
- Yu X H and Wang W 2008 Chem. Asaian J. 3 516-532.
- Doyle A G and Jacobsen E N 2007 Chem. Rev. 107 5713-5743.
- Wittkopp A and Schreiner P R 2003 Chem. Eur. J. 9 407-414.
- Schreiner P R 2003 Chem. Soc. Rev. 32 289-296.
- Schreiner P R and Wittkopp A 2002 Org. Lett. 4 217-220.
- Connon S J 2009 Synlett. 8 354-376.
- Hrdina R Müller C E Wende R C Lippert K M Benassi M Spengler B and Schreiner P R 2011 J. Am. Chem. Soc. 133 7624-7627.
- Frisch M J et al. 2009 GAUSSIAN 98, Revision A 11.4, Gaussian, Inc, Pittsburgh PA.
- Becke A D 1993 J. Chem. Phys. 98 5648.
- Lee C Yang W and Parr R G 1988 Phys. Rev. B 37 785.
- Pulay P Fogarasi G Pongor G Boggs J E and Vargha A 1983 J. Am. Chem. Soc. 105-7037.
- Rauhut G and Pulay P 1995 J. Phys. Chem. 99 3093.
- Sundius T 1990 J. Mol. Struct, 218 321 (MOLVIB (V.7.0): Calculation of Hormonic Force Fields and Vibrational Modes of Molecules, QCPE program No.807 (2002).
- Sundius T 2002 Vib. Spectrosc. 29 89.
- Fogarai G Zhou X Taylor P W and Pulay P 1992 J. Am. Chem. Soc. 114 8191.
- Florian J and Johnson B G 1994 J. Chem. Phys. 98 3681.
- Senthil Kumar R and Marudhaiveeran N 2015 Elixir.vib. spec. 87 35682.
- Sharma Y R 1994 Elementary Organic Spectroscopy - Principles and Chemical Applications, S. Chand & Company Ltd., New Delhi 92.
- Vijayakumar G Saravanan N 2016 Elixir Comp. Chem. 93 39522.
- Vien L Colthup N B Fateley W G and Grassell J G 1991 The Handbook of Infrared Raman
- Characteristic Frequencies of Organic Molecules, Academic Press, Boston, MA.
- Sathyanarayana D N 2004 Vibrational Spectroscopy - Theory and Applications, Second ed. New Age International (P) Limited Publishers, New Delhi.
- Socrates G 2001 Infrared and Raman, Characteristics Group Frequencies, 3rd edition, Wiley, New York.
- Dani V R, 1995 Organic Spectroscopy, Tata-McGraw Hill Publishing Company, New Delhi, 139.
- Balachandran V and Parimala K 2013 Spectrochem. acta A 102 30-51.
- Silverstein R M Clayton Basseler G and Morrill T C 1991 Spectrometric identification of Organic Compounds, John Wiley and Sons, New York.
- Fernandez L E Benaltabef A Navarro A Fernandez Gomez M and Varetti E L 2000 Spectrochim. Acta A 56 1101.
- Fernandez L E Ben Altabet A and Varetti E L 2002 J. Mol. Struct. 612.
- Gounev T K Guirgis A and Durig J R 1997 J. Mol. Struct. 613 436-437.
- Ayers P W and Parr R G 2000 J. Am. Chem. Soc. 122 2010-2018.
- Parr R G and Yang W J 1984 Am. Chem. Soc. 106 511-516.
- Yang W and Mortier W J J 1986 Am. Chem. Soc. 108 5708-5711.
- Morell C Grand A and Toro-Labbe A 2005 J. Phys. Chem. A 109 205-212.
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L. Bhuvaneswari, U. Sankar, S. MeenakshiSundar, K. Parimala "Structural study and spectroscopic investigations of N [3,5-Bis (trifluoromethyl) phenyl] thiourea" International Journal of Scientific Research in Science, Engineering and Technology (IJSRSET), Print ISSN : 2395-1990, Online ISSN : 2394-4099,
Volume 3, Issue 5, pp.305-311, July-August-2017.