Vibrational spectroscopic calculations on pyrogallol and gallic acid

Journal of Molecular Structure: THEOCHEM

Volumn 618, Issue 3, 2002, Pages 259-265

  Mohammed Ziegler, Ildikó ^a   Billes, Ferenc ^b  

^a CHEMICAL RESEARCH CENTER   (Hungary)

^b BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

Author keywords

Gallic acid; Pyrogallol; Quantum chemistry; Vibrational spectra

Indexed keywords

GALLIC ACID; PYROGALLOL;

ARTICLE; CALCULATION; GEOMETRY; INFRARED SPECTROSCOPY; QUANTUM CHEMISTRY; RAMAN SPECTROMETRY; SIMULATION; SPECTROSCOPY; VIBRATION;

EID: 0037195879     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00547-X     Document Type: Article

References (18)

1. E. Sjöström, Wood Chemistry - Fundamentals and Applications, Second Ed., Academic Press, San Diego, 1993.
2. G. Svensson, Naturliga Försvarssubstanser i Trä - Litteraturstudie 1988, Trätek Institutet för Träteknisk Forskning, Stockholm, 1988, in Swedish.
3. S. Canas, M.C. Leandro, M.I. Spranger, A.P. Belchior, J. Agric. Food Chem. 47 (1999) 5023.
4. M.-A. Bianco, A. Handaji, H. Savolainen, Sci. Total Environ. 222 (1998) 123.
5. R.C. Pettersen, J.C. Ward, A.H. Lawrence, Holzforschung 47 (1993) 513.
6. A. Krilov, A. Holmgren, R. Gref, L.-O. Öhman, Holzforschung 47 (1993) 239.
7. Y.N. Shukla, A. Srivastava, S. Kumar, S. Kumar, J. Ethnopharmacol. 67 (1999) 241.
8. S. Shahrzad, I. Bitsch, J. Chromatogr. A 741 (2) (1996) 223.
9. I.M. Heinonen, P.J. Lehtonen, A.I. Hopia, J. Agric. Food Chem. 46 (1) (1998) 25.
10. T. Koga, K. Moro, K. Nakamori, J. Yamakoshi, H. Hosoyama, S. Kataoka, T. Ariga, J. Agric. Food Chem. 47 (5) (1999) 1892.
11. J. Burns, P.T. Gardner, J. O'Neil, S. Crawford, I. Morecroft, D.B. McPhail, C. Lister, D. Matthews, M.R. MacLean, M.E.J. Lean, G.G. Duthie, A. Crozier, J. Agric. Food Chem. 48 (2) 2000) 220.
12. H. Sakagami, Y. Yokote, K. Akahane, Anticancer Res. 21 (4A) (2001) 2441.
13. H. Schultz, U.H. Engelhardt, A. Wegent, H.-H. Drews, S. Lapczynski, J. Agric. Food Chem. 47 (1999) 5064.
14. G. Keresztury, F. Billes, M. Kubinyi, T. Sundius, J. Phys. Chem. A 102 (1998) 1371-1380.
15. M. Nonella, J. Phys. Chem. B 101 (1997) 1235-1246.
16. M. Spoliti, L. Bencivenni, J.J. Quirante, F. Ramondo, Theochem - J. Mol. Struct. 390 (1997) 139-148.
17. H.T. Flakus, M. Chelmecki, Spectrochim. Acta A 58 (2002) 179-196.
18. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, GAUSSIAN 98, Revision A.3, Gaussian, Inc., Pittsburgh PA, 1998.