Spectroscopic and vibrational analysis of the methoxypsoralen system: A comparative experimental and theoretical study

Journal of Molecular Structure

Volumn 1035, Issue , 2013, Pages 13-18

  Liu, Y ^a,b   Yuan, H ^b   Vo Dinh, T ^a,b  

^a DUKE UNIVERSITY   (United States)

^b USA   (United States)

Author keywords

B3LYP; DFT; Psoralen; Raman

Indexed keywords

B3LYP; B3LYP METHOD; BASIS SETS; BIOACTIVE MOLECULES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT; DFT CALCULATION; EXPERIMENTAL DATUM; METHOXYPSORALEN; POTENTIAL ENERGY DISTRIBUTION; PSORALEN; RAMAN; RELATIVE PEAK INTENSITY; SPECTRA MEASUREMENTS; THEORETICAL STUDY; VIBRATIONAL ANALYSIS; VIBRATIONAL ASSIGNMENT; VIBRATIONAL ENERGY DISTRIBUTION;

DENSITY FUNCTIONAL THEORY; ELECTRIC POWER DISTRIBUTION; SPECTROSCOPIC ANALYSIS;

RAMAN SCATTERING;

EID: 84867121218     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2012.08.047     Document Type: Article

References (26)

1. R. Miranda, L. Santana, M. Teijeira, E. Uriarte, and A. Castiñeiras Struct. Chem. 8 1997 453
2. D. Bethea, B. Fullmer, S. Syed, G. Seltzer, J. Tiano, C. Rischko, L. Gillespie, D. Brown, and F.P. Gasparro J. Dermatol. Sci. 19 1999 78
3. G.D. Cimino, H.B. Gamper, S.T. Isascs, and J.E. Hearst Annu. Rev. Biochem. 54 1985 1151
4. R. Miranda, L. Santana, M. Teijeira, E. Uriarte, and A. Castiňeiras Struct. Chem. 8 1997 453
5. E. Archier, S. Devaux, E. Castela, A. Gallini, F. Aubin, M. Le Maître, S. Aractingi, H. Bachelez, B. Cribier, P. Joly, D. Jullien, L. Misery, C. Paul, J.P. Ortonne, and M.A. Richard J. Eur. Acad. Dermatol. Venereol. 26 2012 11
6. T.N. Helm, J.W.E. Dijkstra, R.J. Ferrara, and S. Glan Am. Fam. Physician 43 1991 908
7. S.T. Isaacs, C.K.J. Shen, J.E. Hearst, and H. Rapoport Biochemistry 16 1977 1058
8. T. Vo-Dinh, D.A. White, M.A. O'Malley, P.J. Seligman, and R.C. Beier J. Agr. Food Chem. 36 1988 333
9. J.P. Scaffidi, M.K. Gregas, B. Lauly, Y. Zhang, and T. Vo-Dinh ACS Nano 5 2011 4679
10. M. Berg, and A. Ros Life Sci. 53 1993 355
11. E.M. Bezerra, M.Z.S. Flores, E.W.S. Caetano, V.N. Freire, V. Lemos, B.S. Cavada, and J.L. de Lima Filho J. Phys. Condens. Matter. 18 2006 8325
12. K. Bohuslavizki Eur. J. Pharmacol. 46 1994 375
13. L.A. Nafie J. Raman Spectrosc. 42 2011 2049
14. M. Govindarajan, K. Ganasan, S. Periandy, M. Karabacak, and S. Mohan Spectrochim. Acta A 77 2010 1005
15. S. Celik, A.E. Ozel, S. Kecel, and S. Akyuz Vib. Spectrosc. 61 2012 54
16. V. Aleksa, G.A. Guirgis, A. Horn, P. Klaeboe, R.J. Liberatore, and C.J. Nielsen Vib. Spectrosc. 61 2012 167
17. N.T. Abdel-Ghani, and A.M. Mansour Spectrochim. Acta A 91 2012 272
18. M.K. Jamróz, M.H. Jamróz, J.C. Dobrowolski, J.A. Gliński, and M. Gleńsk Spectrochim. Acta A 93 2012 10
19. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, 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. Yoyota, 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, 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-aham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Conzalez, J.A. Pople, Gaussian 03, Guassian, Inc., Pittsburgh, PA, 2003.
20. M. Karabacak, and M. Kurt Spectrochim. Acta A 71 2008 876
21. M.H. Jamróz, Vibrational Energy Distribution Analysis VEDA 4, Warsaw, 2004.
22. M.H. Jamróz, and J. Cz J. Mol. Struct. 787 2006 172
23. R.I. Dennington, T. Keith, J. Millam, K. Eppinnett, W. Hovell, Gauss View Version, 2003.
24. E.C. Le Ru, and P.G. Etchegoin Principles of Surface-Enhanced Raman Spectroscopy first ed. 2009 Elsevier Oxford (Appendix A)
25. N. Subramanian, N. Sundaraganesan, ö. Dereli, and E. Türkkan Spectrochim. Acta A 83 2011 165
26. Y. Liu, and H. Sun J. Compt. Chem. 32 2011 1279