Infrared and Raman spectra, vibrational assignment, NBO analysis and DFT calculations of 6-aminoflavone

Journal of Molecular Structure

Volumn 980, Issue 1-3, 2010, Pages 24-30

  Erdogdu, Y ^a   Unsalan, O ^b   Amalanathan, M ^c   Hubert Joe, I ^c  

^a AHI EVRAN UNIVERSITY   (Turkey)

^b ISTANBUL UNIVERSITY   (Turkey)

^c MAR IVANIOS COLLEGE   (India)

Author keywords

6 Aminoflavone; DFT; FT infrared; FT Raman; NBO

Indexed keywords

6-AMINOFLAVONE; DFT; FT-INFRARED; FT-RAMAN; NBO;

RAMAN SPECTROSCOPY; SPECTRUM ANALYSIS; SPECTRUM ANALYZERS;

RAMAN SCATTERING;

EID: 77956063880     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2010.06.032     Document Type: Article

References (41)

1. A.I. Loaiza-Pérez, S. Kenney, J. Boswell, M. Hollingshead, C. Hose, W.M. Linehan, R. Worrell, L. Rubinstein, E.A. Sausville, and D.T. Vistica J. Urol. 171 2004 1688 1697
2. M.J. Kuffel, J.C. Schroeder, L.J. Pobst, S. Naylor, J.M. Reid, S.H. Kaufmann, and M.M. Ames Mol. Pharmacol. 62 2002 143 153
3. T. Teslova, C. Corredor, R. Livingstone, T. Spataru, R.L. Birke, J.R. Lombardi, M.V. Canamares, and M. Leona J. Raman Spectrosc. 38 2007 802
4. J.B. Harborne, T.J. Marby, and H. Marby The Flavonoids 1975 Chapman and Hall London
5. J.B. Harborne, and T.J. Marby The Flavonoids: Advances in Research 1982 Chapman and Hall London
6. J.W. McClure V. Cody, E. Middleton, J.B. Harborne, Plant Flavonoids in Biology and Medicine: Biochemical, Pharmacological and Structure-Activity Relationships 1986 Alan R. Liss New York 77
7. T.A. Geissman The Chemistry of Flavonoid Compounds 1962 The Macmillan Company New York
8. D.A. Smith, and S.W. Banks V. Cody, E. Middleton, J.B. Harborne, Plant Flavonoids in Biology and Medicine: Biochemical, Pharmacological and Structure-Activity Relationships 1986 Alan R. Liss NewYork 113
9. M. Gabor The Pharmacology of Benzopyrone Derivatives and Related Compounds 1986 Budapest Akademiai Kiado
10. H. Böhm, J. Boeing, J. Hempel, B. Raab, and A. Kroke Z. Ernährungswiss. 37 1998 147
11. K. Raghavan, J.K. Buolamwini, K.W. Kohn, and J.N. Weinstein J. Med. Chem. 38 1995 890
12. W.F. De Azevedo, H.J. Mueller-Dieckmann, U. Schulze Gahmen, P.J. Worland, E. Sausville, and S.H. Kim Proc. Natl. Acad. Sci. USA 93 1996 2735
13. L. Costantino, G. Rastelli, M.C. Gamberini, J.A. Vinson, P. Bose, A. Iannone, M. Staffieri, L. Antolini, A. Del Corso, U. Mura, and A. Albasini J. Med. Chem. 42 1999 1881
14. M.C. Etter, Z. Urbanczyk-Lipowska, S. Baer, and P.F. Barbara J. Mol. Struct. 144 1986 155
15. S. van Acker, A.B.E. de Groot, M.J. van den Berg, D.J. Tromp, G. Donne-Op den, M.N.L. Kelder, G. van der Vigh, and W.J.F. Bast Chem. Res. Toxicol. 9 1996 1305
16. J.P. Cornard, J.C. Merlin, A.C. Boudet, and L. Vrielynk Biospectroscopy 3 1997 183
17. J.P. Abraham, D. Sajan, J. Mathew, I.H. Joe, V. George, and V.S. Jayakumar J. Raman Spectrosc. 39 2008 1821
18. L. Vrielynck, J.P. Cornard, J.C. Merlin, and M.F. Lautie Spectrochim. Acta 50A 1993 2177
19. G.K. Pereira, P.M. Donate, and S.E. Galemeck J. Mol. Struct. (Theochem) 363 1996 87
20. G.K. Pereira, P.M. Donate, and S. Galemeck J. Mol Struct (Theochem). 392 1997 169
21. H.M. Ishiki, P.M. Donate, and S.E. Galemeck J. Mol Struct (Theochem). 423 1998 235
22. M. Meyer J. Quantum Chem. 76 2000 724
23. Y. Erdogdu, O. Unsalan, and M.T. Gulluoglu Turk. J. Phys. 33 2009 249
24. Y. Erdogdu, O. Unsalan, D. Sajan, and M.T. Gulluoglu Spectrochim. Acta A 76 2010 130 136
25. Y. Erdogdu, O. Unsalan, and M.T. Gulluoglu J. Raman Spectrosc. 2010 10.1002/jrs.2520
26. O. Unsalan, Y. Erdogdu, and M.T. Gulluoglu J. Raman Spectrosc. 40 5 2009 562
27. Gaussian 03, Revision C.02, M.J. Frisch, 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, and J.A. Pople, Gaussian, Inc., Wallingford CT, 2004.
28. M.H. Jamróz, Vibrational Energy Distribution Analysis VEDA 4, Warsaw, 2004.
29. A.E. Reed, L.A. Curtiss, and F. Weinhold Chem. Rev. 88 1988 899
30. J.P. Foster, and F. Weinhold J. Am. Chem. Soc. 102 1980 7211
31. F. Weinhold, and C.R. Landis Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective 2005 Cambridge University Press New York
32. H.W. Thomson, and P. Torkington J. Chem. Soc. 1945 640
33. E.D. Glendening, J.K. Badenhoop, A.E. Reed, J.E. Carpenter, J.A. Bohmann, C.M. Morales, F. Weinhold, NBO 5.0, Theoretical Chemistry Institute, University of Wisconsin, Madison, 2001.
34. J.N. Liu, Z.R. Chen, and S.F. Yuan J. Zhejiang Univ. Sci. B6 2005 584
35. C. James, A. Amal Raj, O.F. Nielson, V.S. Jayakumar, and I. Hubert Joe Spectrochim. Acta. 70A 2008 1208
36. B. Smith Infrared Spectral Interpretation: A Systematic Approach 1999 CRC Washington, DC
37. O. Alver, C. Parlak, Vib. Spectros. (2010), doi:10.1016/j.vibspec.2010. 05.001.
38. G. Keresztury Raman spectroscopy: theory J.M. Chalmers, P.R. Griffith, Handbook of Vibrational Spectroscopy vol. 1 2002 John Wiley & Sons Ltd. New York 71 87
39. N. Puviarasan, V. Arjunan, and S. Mohanan Turk. J. Chem. 26 2002 323
40. H. Nakayama, M. Mukai, R. Hagiwara, and K. Ishil J. Phys. Chem. A 94 1990 4343
41. F.R. Dollish, W.G. Fateley, and F.F. Bentley Characteristic Raman Frequencies of Organic Compounds 1974 Wiley New York