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.
The adoption of the beryllium acetate structural motif in zinc oxycarbamates, oxythiocarbamates and oxythiophosphinates
Malik, Mohammad Azad,O'Brien, Paul,Motevalli, Majid,Abrahams, Isaac
, p. 241 - 250 (2006)
Zn4OL6 (L = S2CNEt2, S 2PEt2 and OCNEt2) complexes are readily formed by hydrolysis of the mixed alkylzinc-carbamato, thiophophinato or thiocabamato (RZnL) compounds. These oxyzinc complexes all adapt a basic beryllium-acetate- like tetrahedral (μ4-O)Zn4 core. The coordination of each zinc atom is completed by bridging carbamato, thiocarbamato or thiophosphinato groups. Disorder is observed in the zinc positions for the two sulfur-containing compounds, with zinc atoms disordered over the eight corners of a cube. The geometry of the core (μ4-O)Zn4 moiety is compared with ZnO and a number of related complexes.
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.
Mechanically activated solid-phase synthesis of copper(II), zinc(II), and cadmium(II) diethyldithiocarbamates
Petrova,Makhaev
, p. 865 - 870 (2008/10/09)
The mechanically activated solid-phase reaction of copper, zinc, and cadmium chlorides with sodium diethyldithiocarbamate is studied. The course of the process and the extent of reaction are studied as affected by the parameters of the mechanical activati
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.
Oxygenation of zinc dialkyldithiocarbamate complexes: Isolation, characterization, and reactivity of the stoichiometric oxygenates
Brayton, Daniel F.,Tanabe, Kristine,Khiterer, Mariya,Kolahi, Kian,Ziller, Joseph,Greaves, John,Farmer, Patrick J.
, p. 6064 - 6072 (2008/10/09)
S-oxygenation of dithiocarbamate (DTC) complexes has been implicated in their function as industrial anti-oxidants, as well as in their use as pesticides and most recently in their cumulative toxicity, but little is known of the species generated. Several S-oxygenated derivatives of N,N-disubstituted DTCs have been synthesized, characterized by a variety of methods, and their structure and reactivity examined. Low-temperature reaction of bis(N,N-diethyldithiocarbamato)zinc(II), Zn(deDTC)2 1, with oxygenating reagents (hydrogen peroxide, m-chloroperbenzoic acid, urea hydrogen peroxide) yields mono-oxygenated DTC complexes (N,N- peroxydiethyldithiocarbamato)(N,N-diethyldithiocarbamato)zin(II), Zn(O-deDTC)(deDTC), 2 and bis(N,N-peroxydiethyldithiocarbamato)zinc(II), Zn(O-deDTC)2, 3. The tetraoxygenated derivative bis(N,N- diethylthiocarbamoylsulfinato)zinc(II), Zn(O2-deDTC)2, 4, was cleanly obtained by initial reaction of the DTC salts with stoichiometric oxidant prior to complexation with Zn(II). X-ray crystallographic analysis of 2, 3, and 4 show that the peroxydithiocarbamate ligands are S,O-bound. Similar derivatives were obtained from the homoleptic dimethyl and pyrollidine DTC Zn complexes. These oxygenated species display unique 1H and 13C NMR variable-temperature spectra, as the symmetry of DTC ligand is broken upon oxygenation; total line shape analysis (TLSA) was used to compare the energetic parameters for rotation about the C-N bond in several derivatives. Compounds 2, 3, and 4 were deoxygenated by alkyl phosphine, regenerating the parent dithiocarbamate 1. The peroxydithiocarbamate complexes were susceptible to base-catalyzed hydrolytic decomposition, giving ligand-based products indicative of S-oxidation and S-extrusion.
THE DIRECT ELECTROCHEMICAL SYNTHESIS OF DIALKYLDITHIOCARBAMATE AND DIETHYLDITHIOPHOSPHATE COMPLEXES OF MAIN GROUP AND TRANSITION METALS
Geloso, Corrado,Kumar, Rajesh,Lopez-Grado, Jaime Romero,Tuck, Dennis G.
, p. 928 - 932 (2007/10/02)
Dialkyldithiocarbamate derivatives (R2NCS2)nM of a number of metals (M=Fe, Co, Ni, Cu, Ag, Zn, Cd, In, Tl) have been synthesised in good yield by electrochemical oxidation of appropriate sacrificial anodes in non-aqueous solutions of either the corresponding tetraalkylthiuran disulphide (R2NCS2)2 (R=Me, Et) or a mixture of carbon disulphide plus the secondary amine R2NH (R=Et, i-Pr; R2NH=piperidine).Similar experiments with solutions of (EtO)2P(S)SH (=HL) gave MLn* derivatives (M=Fe, Co, Ni, Cu, Ag, Au, Zn, Cd, Hg, Ga, In, Tl) while in the presence of HL+1,10-phenanthroline, MLn.phen derivatives were obtained for M=V, Mn, Fe, Co, Zn, and Ga.
