Synthesis, characterization and spectra studies on Zn(II) and Cu(II) complexes with thiocarbamide ligand containing Schiff base group

Abstract

The ligand of 4-phenyl-1-(1-phenylethylidene) thiosemicarbazide (HL) and its metal complexes of ZnL 2 (1) and CuL 2 (2) have been synthesized. Elemental analysis, IR and X-ray single crystal diffraction characterizations for 1 and 2 have been carried out. In the complexes 1 and 2, the central metallic ions Zn 2? and Cu 2? , coordinate with two deprotonated ligands, L -, respectively and adopt distorted tetrahedral geometries. The thermal analyses result shows that the two complexes undergo two similar decomposition processes because of their similar geometric configurations. For the two complexes, UV-Vis spectra have been measured and DFT calculations at B3LYP/LANL2DZ level of theory prove that the electronic spectra of 1 are corresponding with intraligand electronic transitions, and the electronic spectra of 2 are attributed to intraligand electronic transitions as well as d-d electronic transitions. Fluorescence spectra measurements indicate that the complex of 1 emits stronger fluorescence than the ligand of HL, and the complex 2 does not emit fluorescence at all. Electrochemical analyses reveal that both the oxidation peak currents and the reduction peak currents of 1 and 2 are stronger than those of the ligand, respectively.

Crystal structure of bis{N-methyl-N′-[3-(4-methoxyphenyl)-1-methylpropane-1-ylidene]carbamohydrazonothioato}zinc(II), C26H36N6O2S2Zn

“…The chelate/chelate angles in the literature structures vary from 60.10(5) to 89.65(5)°. Interestingly, these angles are calculated for the two independent molecules in the asymmetric unit of the complex with R 1 = R 4 = Ph and R 2 = Me [13], suggesting an influence of molecular packing effects on the adopted conformation.…”

Bis(N′-{(E)-[(2E)-1,3-diphenylprop-2-en-1-ylidene]amino}-N-ethylcarbamimidothioato-κ2N′,S)zinc(II): crystal structure and Hirshfeld surface analysis

“…R 0 = R 00 = Ph for the R = 3-FPh compound (Ferraz et al, 2012) or mixed alkyl/aryl, i.e. R 0 = Me and R 00 = Ph for the R = Ph compound (Wang et al, 2009); the latter structure has two molecules in the asymmetric unit. The R 0 and R 00 groups can be part of a ring, e.g.…”

Synthesis, structures, and property studies on Zn(II), Ni(II), and Cu(II) complexes with a Schiff base ligand containing thiocarbamide group

“…All of these synthesized chelate ligands possess two potential coordinating sites, respectively, each of which can bite with a metallic ion to construct a metal complex having five-membered rigid chelate ring. The experimental results show that some so-synthesized ligands and their metal complex can emit green and blue fluorescence [16], which provide a facile method to obtain the blue-emitting complexes. Herein, we wish to report another Schiff base ligand of 4-phenyl-1-(4-methoxyl-1-phenylethylidene)thiosemicarbazide (HL) and its chelate complexes of ZnL 2 (1), NiL 2 (2), and CuL 2 (3), including their crystal structures, UV-Vis spectra, fluorescence spectra, thermal stabilities, and electrochemical behaviors.…”

“…Especially, Schiff base metal-chelate complexes have been found to exhibit good luminescent properties [11][12][13][14][15][16]. For example, in 2001, Liu group reported that N,N 0 -disalicylidene-triethylenetetramine zinc(II) complex showed bright blue photoluminescence [13].…”