Spectroscopic characterization and molecular modeling of novel palladium(II) complexes with carbazates and hydrazides

Palladium(II) complexes of the type trans-[Pd(L)(2)Cl-2], where L = 4-methoxybenzylcarbazate (4-MC), benzyl carbazate (BC), 4-fluorophenoxyacetic acid hydrazide (4-FM), 3-methoxybenzoic acid hydrazide (3-MH), ethyl carbazate (EC) and tert-butyl carbazate (TC) were synthesized by the slow addition of the ligand to K2PdCl4 previously dissolved in water or ethanol. These complexes were characterized by elemental analyses, conductivity measurements, TG/DTA, FT-IR, mass spectrometric and NMR spectroscopy (solution and solid-state). All coordination compounds exhibit a square planar coordination geometry in which the palladium(II) ion coordinates to two nitrogen atoms and two chlorine atoms. The structures of the palladium(II) complexes were optimized and theoretical data show that the trans isomer is more stable, in accordance with the experimental data. Preliminary in vitro tests of some these new palladium complexes in a chronic myelogenous leukemia cell line (k562 cells) are also reported. (C) 2015 Elsevier B.V. All rights reserved.