FT-IR, FT-Raman spectra and Ab Initio HF, DFT vibrational analysis of P-methyl acetanilide

Journal of Applied Sciences Research

Volumn 5, Issue 11, 2009, Pages 1977-1987

  El Barbary, A A ^a   El Nahass, M M ^a   Kamel, M A ^a   El Mansy, M A M ^a  

^a AIN SHAMS UNIVERSITY   (Egypt)

Author keywords

DFT; FT IR; FT Raman; HF; PMA(Para Methyl Acetanilide)

Indexed keywords

EID: 77949563775     PISSN: 1816157X     EISSN: 1819544X     Source Type: Journal    
DOI: None     Document Type: Article

References (20)

1. Jose, P., D. Abraham, I. Sajan, V.S. Hubert Joe, Jayakumar, 2008. Spectrochimica Acta, Part A., 71(2): 355.
2. Isaeva, G.A., P.P. Isaev, 1992. Zh. Fiz. Khim., 66(4): 999.
3. Scott, A., 1992. Phys. Rep., 217: 111.
4. Lee, S.Y., B.H. Boo, 1996. Bull. Korean Chem. Soc., 17: 760.
5. Sundaraganesan, N., S. Ilakiamani, H. Saleem, P.M. Wojciechowski, D.Michalska, 2005. Spectrochimica Acta, A61: 2995.
6. Afaf, H. El-masry, H.H. Fahmy and S.H. Ali Abdelwahed, 2000. Molecules ISSN., 1420-3049.
7. Frisch, M.J., G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr.,T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian Inc., Wallingford, C.T., 2004.
8. Schlegel, H.B., 1982. Comput. Chem., 3: 214.
9. Hohenberg, P., W. Kohn, 1964. Phys. Rev., 136 B864.
10. Becke, A.D., 1964. J. Chem. Phys., 98: 5648.
11. Lee, C., W. Yang, R.G. Parr, 1988. Phys. Rev., B37: 785.
12. Æleen Frisch, Roy D. Dennington, Todd A. Keith, John Millam, Alice B. Nielsen, Andrew J. Holder, Joanne Hiscocks, Gaussian, 2007. Inc. GaussView Manual Version, 4: 1.
13. The Cambridge Crystallographic Data Centre CCDC (701429), 2009.deposit@ccdc.cam.ac.uk, 12 Union Road, CAMBRIDGE CB2 1EZ, UK.
14. Sundaraganesan, N., S. Ilakiamani, P. Subramani, B. Dominic Joshua, 2007. Spectrochimica Acta Part A. 67: 628-635.
15. Sundaraganesan, N., C. Meganathan, H. Saleem, B. Dominic Joshua, 2007. Spectrochimica Acta Part A., 68: 619-625.
16. Joseph B. Lambert, Herebert F. Shurvell, Lawrence Vereit, R. Graham Cooks, George H. Stout, 1976. Organic Structural Analysis, Academic Press, New York.
17. John R. Dyer, 1978. Application of Absorption Spectroscopy of Organic Compounds. New Delhi-110001.
18. Kalsi, P.S., 2002. Spectroscopy of Organic Compounds, Academic Press, New York.
19. Medhat Ibrahim and Hanan El-Haes, 2005. "Computational Spectroscopic Study of Copper, Cadmium, Lead and Zinc Interactions in the Environment", Int. J. Environment and Pollution, 23(4): 417-424.
20. Medhat Ibrahim and Abdel Aziz Mahmoud, 2009. "Computational Notes on the Reactivity of some Functional Groups", J. Comput. Theor. Nanosci, 6: 1523-1526.