Structural conformations and electronic interactions of the natural product, oroxylin: A vibrational spectroscopic study

Journal of Raman Spectroscopy

Volumn 39, Issue 12, 2008, Pages 1821-1831

  Abraham, Jose P ^a   Sajan, D ^b   Mathew, Joseph ^b   Joe, I Hubert ^b   George, V ^c   Jayakumar, V S ^b  

^a St Stephen s College   (India)

^b MAR IVANIOS COLLEGE   (India)

^c TBGRI   (India)

Author keywords

Conformational analysis; DFT calculations; Electronic effects; FT IR spectroscopy; NIR FT Raman spectroscopy; Oroxylin; Vibrational spectra

Indexed keywords

ATOMS; CONFORMATIONS; DENSITY FUNCTIONAL THEORY; DIHEDRAL ANGLE; HYDROGEN; HYDROGEN BONDS; INFRARED DEVICES; SPECTROSCOPIC ANALYSIS; SPECTRUM ANALYSIS; STRETCHING; VIBRATION ANALYSIS;

CONFORMATIONAL ANALYSIS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; DENSITY-FUNCTIONAL-THEORY; ELECTRONIC EFFECTS; METHOXY GROUP; NATURAL PRODUCTS; NEAR-INFRARED FOURIER TRANSFORM RAMAN SPECTROSCOPIES; OPTIMIZED GEOMETRIES; OROXYLIN; STRUCTURAL CONFORMATIONS;

MOLECULES;

EID: 57149100958     PISSN: 03770486     EISSN: 10974555     Source Type: Journal    
DOI: 10.1002/jrs.2045     Document Type: Article

References (44)

1. The Wealth of India. Raw Materials,vol. 10. CSIR: New Delhi, 1976; 520.
2. Harborne JB, Mabry TJ. The Flavonoids: Advances in Research. Chapman & Hall: London, 1982.
3. Cody V, Middleton E, Harborne JB, Beretz A. Plant Flavonoids in Biology and Medicine II: Biochemical, Cellular and Medicinal Properties. A.R. Liss: New York, 1988.
4. Hollman P, Trijp J, Buysman M, Gaag M, Mengelers M, de Vries J, Katan M. FEBS Lett. 1997; 418: 152.
5. Ragahavan K, Buolamwini K, Kohan KW, Weinstein JN. J. Med. Chem. 1995; 39: 890.
6. Moro S, van Rhee AM, Sandes LH, Jacobsen KA. J. Med. Chem. 1998; 41: 46.
7. Vrielynck L, Dupuy N, Coustillier G, Merlin JC. Spectrochim. Acta, Part A 2002; 58: 2633.
8. Rossi M, Rickels LF, Halpin WA. Bioorg. Chem. 1986; 14: 55.
9. Jin GZ, Yamagata Y, Tomita KI. Acta Crystallogr. C 1990; 14: 310.
10. Shoja M. Acta Crystallogr. C 1990; 46: 517.
11. Seetharaman J, Rajan SS. Acta Crystallogr. C 1992; 48: 1714.
12. Cody V, Luft JR. J. Mol. Struct. 1994; 317: 89.
13. Seetharaman J, Rajan SS. Z. Kristallogr. 1995; 210: 104.
14. van Acker SA, de Groot MJ, van den Berg DJ, Tromp MN, Donne- Op den Kelder G, van der Vigh WJ, Bast A. Chem. Res. Toxicol. 1996; 9: 1305.
15. Cornard JP, Merlin JC, Boudet AC, Vrielynck L. Biospectroscopy 1997; 3: 183.
16. Vrielynck L, Cornard JP, Merlin JC. Spectrochim. Acta, Part A 1994; 50(13): 2177.
17. Pereira GK, Donate PM, Galemeck SE. J. Mol. Struct. (Theochem) 1996; 363: 87.
18. Pereira GK, Donate PM, Galemeck S. J. Mol. Struct. (Theochem) 1997; 392: 169.
19. Ishiki HM, Donate PM, Galemeck SE. J. Mol. Struct. (Theochem) 1998; 423: 235.
20. Meyer M. J. Quantum Chem. 2000; 76: 724.
21. Kirtikar KR, Basu BD, Singh B. Indian Medical Plant, vol. 3 (2nd edn). Bishen Singh Mahendra Pal Singh: Dehradun, India, 1975; 894.
22. Binoy J, Abraham JP, Joe IH, Jayakumar VS, Pettit GR, Nielsen OF. J. Raman Spectrosc. 2004; 35: 939.
23. Sajan D, Binoy J, Pradeep B, Venkata Krishna K, Kartha VB, Joe IH, Jayakumar VS. Spectrochim. Acta, Part A 2004; 60: 174.
24. Sajan D, Joe IH, Zaleski J, Jayakumar VS. Laser Phys. Lett. 2005; 2: 343.
25. Joseph M, Latha PG, George V. J. Trop. Med. Plants 2004; 5: 217.
26. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA Jr, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA. Gaussian 98, Revision A.9. Gaussian: Pittsburgh, 1998.
27. Becke AD. J. Chem. Phys. 1999; 98: 5648.
28. Michelle M, William FJ, Pietro WJ, Hehre S, Binkly MS, Gorden J, Defrees DJ, Pople JA. J. Chem. Phys. 1982; 7: 77.
29. Scott AP, Radom L. J. Phys. Chem. 1996; 100: 16503.
30. Rauhut G, Pauly P. J. Phys. Chem. 1995; 99: 3093.
31. Vrielynck L, Cornard JP, Merlin JC, Bopp P. J. Mol. Struct. 1993; 297: 227.
32. Cornard P, Boudet AC, Merlin JC. Spectrochim. Acta, Part A 2001; 57: 591.
33. Cornard JP, Vrielynck L, Merlin JC. Spectrochim. Acta, Part A 1995; 51(5): 913.
34. Colthup NB, Daly LH, Wiberley SE. Introduction to Infrared and Raman Spectroscopy. Academic Press: New York, 1990.
35. Socrates G. Infrared Characteristic Group frequencies. Wiley-Interscience Publication: New York, 1980.
36. Varsanyi G. Vibrational Spectra of Benzene Derivatives. Academic Press: New York, 1969.
37. Smith B. Infrared Spectral Interpretation, A Systematic Approach. CRC Press: Washington, DC, 1999.
38. Rumi M, Zerbi G. J. Mol. Struct. 1999; 509: 11.
39. Gussoni M, Castiglioni C. J. Mol. Struct. 2000; 521: 1.
40. Vanstraten AJ, Smith WA. J. Mol. Spectrosc. 1976; 62: 297.
41. Gussoni M. J. Mol. Struct. 1984; 113: 323.
42. Gussoni M, Castiglioni C, Zerbi G. J. Phys. Chem. 1984; 88: 600.
43. Rostkowska H, Nowak MJ, Lapinski L, Adamowicz L. Spectrochim. Acta, Part A 1998; 54: 91.
44. Nibbering ETJ, Elsaesser T. Chem. Rev. 2004; 104: 1087.