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Spectroscopic evidence of La(III) complex of coumarin-3-carboxylic acid with cytotoxic activity

I. KOSTOVA1,* , N. TRENDAFILOVA2, S. CÎNTĂ PÎNZARU3, W. KIEFER4, G. MOMEKOV5

Affiliation

  1. Department of Chemistry, Faculty of Pharmacy, Medical University, 2 Dunav St. Sofia 1000, Bulgaria
  2. Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, 1113 Sofia, Bulgaria
  3. Babes-Bolyai University, Molecular Spectroscopy Dept., Cluj-Napoca, Romania
  4. Institut für Physikalische Chemie, Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany
  5. Laboratory of Experimental Chemotherapy, Department of Pharmacology and Toxicology, Faculty of Pharmacy, Medical University, 2 Dunav St. Sofia 1000, Bulgaria

Abstract

The complex of La(III) with coumarin-3-carboxylic acid (HCCA) has been synthesized and characterized with different physicochemical data, elemental analysis, DTA and TGA data, IR, Raman, 1H NMR and 13C NMR spectra. B3LYP method with 6-31G(d) and 6-31++G(d,p) basis sets was successfully applied to study the molecular, electronic and vibrational structures as well as the conformational behavior of the neutral and deprotonated ligand (CCA). FTIR and FT Raman spectra of the compounds were recorded in regions 4000 cm-1 to 400 cm-1 and 4000 cm-1 to 100 cm-1 respectively. Significant differences in the IR and Raman spectra of the complex were observed as compared to the spectra of the ligand. A detailed assignment of the observed fundamental bands of HCCA and La(III)-HCCA has been analyzed in terms of peak positions and relative intensities from the recorded FTIR and FTR spectra. The metal-ligand binding mode has been extensively studied on the basis of obtained spectral data. Detailed vibrational analysis of HCCA and La(III) complex gave evidence for bidentate coordination of CCA to La(III) - the metal ion binds through the oxygen atoms of the carbonylic and the deprotonated carboxylic groups of CCA in the complex formation. The new La(III) complex has revealed a strong cell proliferation inhibiting effect on K-562 cells and it may be used for treatment of resistant tumor cells..

Keywords

La(III) complex, Coumarin-3-carboxylic acid, FTIR, FT Raman spectra, Cytotoxic activity.

Submitted at: Nov. 15, 2006
Accepted at: March 15, 2007

Citation

I. KOSTOVA, N. TRENDAFILOVA, S. CÎNTĂ PÎNZARU, W. KIEFER, G. MOMEKOV, Spectroscopic evidence of La(III) complex of coumarin-3-carboxylic acid with cytotoxic activity, Journal of Optoelectronics and Advanced Materials Vol. 9, Iss. 3, pp. 532-538 (2007)