Vibrational Spectra of Palladium 5-Nitrofuryl-thiosemicarbazone Complexes: Experimental and Theoretical Study

GAMBINO, D; L.OTERO; M VIEITES; M BOIANI; M GONZALEZ; ENRIQUE JOSE BARAN; H.CERECETTO

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Elsevier

Lugar: Amsterdam/Holanda; Año: 2007 vol. 68 p. 341 - 348

1386-1425

           The vibrational spectroscopic behavior of a series of 16 palladium(II) complexes with 8 bioactive nitrofuran containing thiosemicarbazones as ligands has been investigated The IR and Raman spectra of these complexes as well as of the free ligands were recorded and analyzed. Experimental spectra were satisfactorily described by density functional theory (DFT) calculations. The combination of experimental and theoretical results allowed to perform the characaterization of the main vibrational modes. A characteristic vibrational spectroscopic pattern could be defined for Pd(II)/5-nitrofuryl thiosemicarbazone complexes.