14324-55-1Relevant articles and documents
DFT: B3LYP/6-311G (d, p) vibrational analysis of bis- (diethyldithiocarbamate)zinc (II) and natural bond orbitals
Costa Jr.,Ondar,Versiane,Ramos,Santos,Martin,Raniero,Bussi,Tellez Soto
, p. 251 - 258 (2013)
Theoretical and experimental bands have been assigned for the Fourier Transform Infrared (FT-IR) and Fourier Transform Raman (FT-Raman) spectra of the bis-(diethydithiocarbamate)Zn(II) complex, [Zn(DDTC)2]. The calculations and spectra interpretation have been based on the DFT/B3LYP method, infrared and Raman second derivative spectra as well as band deconvolution analysis. To assign the metal-ligand normal modes the deviation percentage of the geometrical parameters was used. Results confirms a pseudo tetrahedral structure around the Zn(II) cation. The calculated infrared and Raman spectra has an excellent agreement with the experimental spectra. The Natural Bond Orbital analysis (NBO) was carried out as a way to study the Zn(II) hybridization leading to the pseudo tetrahedral geometry of the framework of the [Zn(DDTC)2] complex, and to study also which are the donor NBO and the acceptor NBO in meaningful charge transfer through the Second Order Perturbation Theory Analysis of Fox Matrix in NBO basis.
Stability of diethyl dithiocarbamate chelates with Cu(II), Zn(II) and Mn(II)
Liu, Wengang,Duan, Hao,Wei, Dezhou,Cui, Baoyu,Wang, Xinyang
, p. 375 - 381 (2019/03/06)
Immobilization has been regarded as one of the most effective technology to eliminate heavy metals contamination. However, the stability of immobilization products and the leakage of immobilized heavy metals impeded its further application. In order to depict the stability of chelating complexes C10H20MnN2S4, C10H20CuN2S4 and C10H20ZnN2S4, DSC-TG analysis, DFT calculation and leakage tests were carried out to reveal the stabilities and the potential leakage risks of immobilized heavy metals when sodium diethyl dithiocarbamate was used as soil amendments. The results indicated that the stability of these three chelating complexes was ranked in the order of C10H20CuN2S4> C10H20ZnN2S4> C10H20MnN2S4. Such precipitations as C10H20MnN2S4, C10H20CuN2S4 and C10H20ZnN2S4 were stable under the neutral and alkaline environment. Meanwhile, leakage of immobilized heavy metals decreased with the increasing leaching pH, whereas time and temperature had no significant impact on the leakage of immobilized heavy metals. And the maximum leakage of immobilized heavy metals was lower than the limited concentration.
A pulse Polarographic method for the analysis of zinc dithiocarbamates
Sharma,Kumar, Satish,Chauhan, Chetan,Gupta, Atul
, p. 1121 - 1124 (2008/02/09)
An extremely sensitive pulse Polarographic method for the determination of zinc dimethyldithiocarbamate (an agricultural fungicide) and zinc di-n-pentyldithiocarbamate (a petroleum additive), has been developed based on the reaction of their dithiocarbamate moiety with copper(II) Perchlorate in acetonitrile medium. Well defined diffusion-controlled peaks are observed at -140 mV and -130 mV (vs SCE) for zinc dimethyldithiocarbamate and zinc di-n-pentyldithiocarbamate respectively. The peaks shows approximately four-fold higher sensitivity than that obtained by pulse polarography of the zinc dithiocarbamate alone. A linear relationship is obtained between concentration of the zinc dithiocarbamate [added to copper(II)] and peak current. Using cyclic voltammetry, a probable mechanism for the zinc dithiocarbamate-copper(II) reaction has been proposed.
