18233-63-1Relevant articles and documents
Synthesis and characterization of Mn(II) complexes of 4-phenyl(phenyl-acetyl)-3-thiosemicarbazide, 4-amino-5-phenyl-1,2,4-triazole-3-thiolate, and their application towards electrochemical oxygen reduction reaction
Bharti, A.,Bharty, M. K.,Butcher, R. J.,Chaudhari, U. K.,Chaurasia, R.,Ganesan, V.,Kushawaha, S. K.,Sonkar, P. K.
, (2019/09/06)
Two new complexes, [Mn(ppt)2(o-phen)] (1) and [Mn(aptt)(Cl)(o-phen)2]·2Haptt·H2O (2) with 4-phenyl (phenyl-acetyl)-3-thiosemicarbazide (Hppt) and 4-amino-5-phenyl-1,2,4-triazole-3-thiolate (Haptt) have been synthesized containing o-phenanthroline (o-phen) as a coligand. These complexes have been characterized by elemental analyses, IR and UV–Vis spectroscopic techniques, thermogravimetric analysis (TGA), magnetic susceptibility and single crystal X-ray diffraction data. The complexes are paramagnetic and have a distorted octahedral geometry. In complex 2, two molecules of Haptt and one water molecule are cocrystalized outside the coordination sphere. Complexes 1 and 2 are fluorescent and upon their excitation at 38 167 cm?1, exhibit emissions at 27 173 and 32 894 cm?1, respectively. TGA of complexes 1 and 2 indicate that the metal is converted into metal oxide at very high temperature. In the solid state, the crystal structure of both complexes are stabilized by various inter and intramolecular interactions. To explore the possible electrochemical applications of the complexes 1 and 2, they are immobilized on glassy carbon electrode using Nafion?. Cyclic voltammetry technique is used to characterize the metal complex immobilized electrodes in basic medium. Both complexes demonstrate excellent electrocatalytic activity towards electrochemical oxygen reduction. Since the electrocatalytic materials for oxygen reduction can dramatically increase the efficiency of the fuel cells and metal-air batteries, these metal complexes can be used as cathodic catalyst material in fuel cells and in metal-air batteries.
Synthesis and antibacterial activity of some new derivatives of thiosemicarbazide and 1,2,4-triazole
Wujec, Monika,Pachuta-Stec, Anna,Stefanska, Joanna,Kusmierz, Edyta,Siwek, Agata
, p. 1661 - 1669 (2013/10/21)
In a reaction of hydrazides of cyclohexylacetic acid 1 and phenylacetic acid 2 with isothiocyanates, respective thiosemicarbazide derivatives 3-18 were obtained. Further cyclization with 2% NaOH led to the formation of 5-(cyclohexylmethyl/benzyl)-4-substituted-2,4-dihydro-3H-1,2, 4-triazole-3-thiones 19-34. Structures of all new products were confirmed by analytical and spectroscopic methods. All compounds were screened for their in vitro activity against some species of bacteria and fungi. [Supplementary materials are available for this article. Go to the publisher's online edition ofPhosphorus, Sulfer, and Silicon and the Related Elements for the following free supplemental files: Additional figures and tables.]
Syntheses, spectral, X-ray and DFT studies of 5-benzyl-N-phenyl-1,3,4- thiadiazol-2-amine, 2-(5-phenyl-1,3,4-thiadiazol-2-yl) pyridine and 2-(5-methyl-1,3,4-thiadiazole-2-ylthio)-5-methyl-1,3,4-thiadiazole obtained by Mn(II) catalyzed reactions
Dani,Bharty,Kushawaha,Paswan,Prakash, Om,Singh, Ranjan K.,Singh
, p. 251 - 261 (2013/11/19)
New compounds 5-benzyl-N-phenyl-1,3,4-thiadiazol-2-amine (Bptha, 1), 2-(5-phenyl-1,3,4-thiadiazol-2-yl) pyridine (Pthp, 2) and 2-(5-methyl-1,3,4- thiadiazole-2-ylthio)-5-methyl-1,3,4-thiadiazole (Mtmth, 3) have been synthesized and characterized with the aid of elemental analyses, IR, NMR and single crystal X-ray data. The structure of compounds 1, 2 and 3 are stabilized via intramolecular as well as intermolecular hydrogen bonding and crystallize in monoclinic system with space group P 1, P21/n and P 1, respectively. During the course of reaction, the substituted thiosemicarbazide/thiohydrazide get cyclized into the corresponding thiadiazole in the presence of manganese(II) nitrate via loss of H2O to yield compounds 1 and 2. However condensation occurred in the case of 5-methyl-1,3,4-thiadiazole-2-thiol which yielded 2-(5-methyl-1,3,4-thiadiazole-2-ylthio)-5-methyl-1,3,4-thiadiazole (3) by loss of one mole of H2S from two moles of 5-methyl-1,3,4- thiadiazole-2-thiol in the presence of manganese(II) acetate. The geometry optimization has been performed using DFT method and geometrical parameters thus obtained for the compounds have been compared with their single crystal X-ray data. The negative values of HOMO and LUMO energies for the molecules indicate that they are stable. The electronic transition from the ground state to the excited state due to a transfer of electrons from the HOMO to LUMO levels is mainly associated with the πa??π transition.
