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

Journal of Molecular Structure - Tập 980 - Trang 24-30 - 2010
Y. Erdogdu1, O. Unsalan2, M. Amalanathan3, I. Hubert Joe3
1Department of Physics, Ahi Evran University, 40040 Kirsehir, Turkey
2Science Faculty, Department of Physics, Istanbul University, 34134 Istanbul, Turkey
3Centre for Molecular and Biophysics Research, Department of Physics, Mar Ivanios College, Thiruvananthapuram 695 015, Kerala, India

Tài liệu tham khảo

Loaiza-Pérez, 2004, J. Urol., 171, 1688, 10.1097/01.ju.0000108860.03389.1b Kuffel, 2002, Mol. Pharmacol., 62, 143, 10.1124/mol.62.1.143 Teslova, 2007, J. Raman Spectrosc., 38, 802, 10.1002/jrs.1695 Harborne, 1975 Harborne, 1982 McClure, 1986, 77 Geissman, 1962 Smith, 1986, 113 Gabor, 1986 Böhm, 1998, Z. Ernährungswiss., 37, 147, 10.1007/PL00007376 Raghavan, 1995, J. Med. Chem., 38, 890, 10.1021/jm00006a006 De Azevedo, 1996, Proc. Natl. Acad. Sci. USA, 93, 2735, 10.1073/pnas.93.7.2735 Costantino, 1999, J. Med. Chem., 42, 1881, 10.1021/jm980441h Etter, 1986, J. Mol. Struct., 144, 155, 10.1016/0022-2860(86)80175-2 van Acker, 1996, Chem. Res. Toxicol., 9, 1305, 10.1021/tx9600964 Cornard, 1997, Biospectroscopy, 3, 183, 10.1002/(SICI)1520-6343(1997)3:3<183::AID-BSPY2>3.0.CO;2-7 Abraham, 2008, J. Raman Spectrosc., 39, 1821, 10.1002/jrs.2045 Vrielynck, 1993, Spectrochim. Acta, 50A, 2177 Pereira, 1996, J. Mol. Struct. (Theochem), 363, 87, 10.1016/0166-1280(95)04423-X Pereira, 1997, J. Mol Struct (Theochem)., 392, 169, 10.1016/S0166-1280(96)04854-3 Ishiki, 1998, J. Mol Struct (Theochem)., 423, 235, 10.1016/S0166-1280(97)00147-4 Meyer, 2000, J. Quantum Chem., 76, 724, 10.1002/(SICI)1097-461X(2000)76:6<724::AID-QUA5>3.0.CO;2-B Erdogdu, 2009, Turk. J. Phys., 33, 249 Erdogdu, 2010, Spectrochim. Acta A, 76, 130, 10.1016/j.saa.2010.02.043 Erdogdu, 2010, J. Raman Spectrosc. Unsalan, 2009, J. Raman Spectrosc., 40, 562, 10.1002/jrs.2166 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. M.H. Jamróz, Vibrational Energy Distribution Analysis VEDA 4, Warsaw, 2004. Reed, 1988, Chem. Rev., 88, 899, 10.1021/cr00088a005 Foster, 1980, J. Am. Chem. Soc., 102, 7211, 10.1021/ja00544a007 Weinhold, 2005 Thomson, 1945, J. Chem. Soc., 640, 10.1039/jr9450000640 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. Liu, 2005, J. Zhejiang Univ. Sci., B6, 584, 10.1631/jzus.2005.B0584 James, 2008, Spectrochim. Acta., 70A, 1208, 10.1016/j.saa.2007.10.052 Smith, 1999 O. Alver, C. Parlak, Vib. Spectros. (2010), doi:10.1016/j.vibspec.2010.05.001. Keresztury, 2002, Raman spectroscopy: theory, vol. 1, 71 Puviarasan, 2002, Turk. J. Chem., 26, 323 Nakayama, 1990, J. Phys. Chem. A, 94, 4343, 10.1021/j100373a086 Dollish, 1974