996-98-5Relevant articles and documents
Synthesis and characterization of [Mn(phen)(H2O)4]·SO4·2H2O
Syiemlieh, Ibanphylla,Kumar, Arvind,Kurbah, Sunshine D.,Lal, Ram A.
, p. 102 - 109 (2018)
Manganese(II) complex [Mn(phen)(H2O)4]·SO4·2H2O has been synthesized in aqueous methanol medium. The complex crystal was directly obtained from reaction of MnSO4·H2O in water with a mixture of methanol solution of disalicyaldehyde oxaloyldihydrazone and 1,10-phenanthroline. Its structure has been established by X-ray crystallography. It has also been characterized by thermogravimetry, TEM, magnetic moment, UV–visible, EPR and IR spectra. The complex is normal paramagnetic and shows a weak d-d band at 420 nm due to 6A1g (F) → 4T2g (G) transition and strong charge transfer bands. The EPR spectrum of the complex is indicative of decrease of metal-metal interaction with decrease in temperature. IR spectra of the complex is consistent with the coordination of 1,10-phenanthroline to the manganese(II) centre.
Synthesis and characterization of homotrimetallic copper complexes derived from bis(2-hydroxy-1-naphthaldehyde)oxaloyldihydrazone
Chanu,Kumar,Lemtur,Lal
, p. 854 - 861 (2012)
Copper (II) complexes [Cu3(nph)(μ2-X) 2(H2O)6]·2H2O [X = Cl (1), (ClO4) (3)] and [Cu3(nph)(NO3) 2(H2O)6] (2) have been synthesized from bis(2-hydroxy-1-naphthaldehyde)oxaloyldihydrazone in methanol medium and characterized. The structures of the complexes have been discussed in the light of data obtained from analytical, thermoanalytical, mass spectral studies, molar conductance, magnetic moment, electronic, EPR, IR, FT-IR spectroscopic studies. The molar conductance values for the complexes fall in the region 0.5-0.9 Sm2 mol-1 in DMSO solution indicating that all of them are non-electrolyte. The magnetic moment values for the complexes suggest weak M-M interaction in the structural unit of the complexes. The dihydrazone ligand is present in enol form in all of the complexes. Copper centre has tetragonally distorted octahedral stereochemistry in chlorido and perchlorato complexes while in nitrato complex, copper has mixed square-pyramidal and distorted-octahedral stereochemistry. The EPR parameters of the complexes indicate that the copper centre has the doublet state as the ground state.
Synergistic mechanism of ZnFe2O4/ZnO nanopowder in photocatalytic degradation of acid orange 7
Zulfiqar Ahmed,Chandrasekhar,Jahagirdar,Nagabhushana,Nagabhushana
, p. 607 - 612 (2018)
ZnFe2O4/ZnO nanopowder was prepared by solution combustion method. The characterization of the nanopowder was done by powder X-ray diffraction, Fourier transform infrared spectroscopy and scanning electron microscopy. Powder X-ray diffraction pattern of the nanopowder exhibited the spinel phase of zinc ferrite and wurtzite phase of zinc oxide. The nanopowder was used for the photocatalytic removal of acid orange dye 7 from its aqueous solution. The effect of various factors such as initial dye concentration, dosage of the photocatalyst and irradiation time was studied. An analysis of the results indicated that the dye degradation was more in case of 10 and 20 ppm dye solutions. The dye degradation decreased with increasing initial concentration. ZnFe2O4/ZnO can be used as a better photocatalyst for the removal of dyes from their aqueous solutions.
Synthesis, molecular structure, multiple interactions and chemical reactivity analysis of a novel ethyl 2-cyano-3-[5-(hydrazinooxalyl- hydrazonomethyl)-1H-pyrrol-2-yl]-acrylate and its dimer: A combined experimental and theoretical (DFT and QTAIM) approach
Singh,Kumar, Amit,Tiwari,Rawat, Poonam
, p. 420 - 430 (2013)
A detailed spectroscopic analyses of a newly synthesized ethyl 2-cyano-3-[5-(hydrazinooxalyl-hydrazonomethyl)-1H-pyrrol-2-yl]-acrylate (3) have been carried out using 1H and 13C NMR, UV-Visible, FT-IR and mass spectroscopic techniques. All the quantum chemical calculations have been carried out using DFT level of theory, B3LYP functional and 6-31G(d,p) as basis set. The 1H and 13C NMR chemical shifts are calculated using gauge including atomic orbitals (GIAOs) approach in DMSO-d 6. TD-DFT is used to calculate the energy (E), oscillatory strength (f) and wavelength absorption maxima (λmax) of various electronic transitions and their nature within molecule. Natural bond orbital (NBO) analysis is carried out to investigate the various intra and intermolecular interactions in dimer and their corresponding second order stabilization energy (E(2)). A combined theoretical and experimental vibrational analysis confirms the existence of dimer and the binding energy of dimer is calculated as 9.21 kcal/mol using DFT calculations. To determine the energy and nature of different interactions topological parameters at bond critical points (BCPs) have been analyzed by Bader's 'atoms in molecules' (AIMs) theory in detail. Electrophilic charge transfer (ECT) is calculated to investigate the relative electrophilic or nucleophilic behavior of reactant molecules involved in chemical reaction. Global electrophilicity index (ω = 5.5836 eV) shows that title molecule (3) is a strong electrophile. The local reactivity descriptors such as Fukui functions (fk+,fk-), local softness (sk+,sk-) and electrophilicity indices (ωk+,ωk-) analyses are performed to determine the reactive sites within molecule.
Synthesis, characterization, computational, conductometric titration and DNA binding studies of N′1,N′2?bis(3?hydroxy?5,5?dimethylcyclohex?2?en?1?ylidene)oxalohydrazide complexes
Abu El-Reash,Zaky,El-Gamil, Mohammed M.,El-Emam
, (2019)
A series of Co(II), Ni(II) and Cu(II) complexes were synthesized with N′1,N′2?bis(3?hydroxy?5,5?dimethylcyclohex?2?en?1?ylidene)oxalohydrazide (H4DOX). The geometry of isolated solid compounds was discussed by various spectroscopic methods. The optimized structures of complexes were confirmed by applying DFT theory. Also, the formation and association constants as well as Gibbs free energies of N′1,N′2?bis(3?hydroxy?5,5?dimethylcyclohex?2?en?1?ylidene)oxalohydrazide complexes were estimated at 298.15 K in a mixed solvent (DMSO?EtOH). Moreover, biological activity was tested for all isolated compounds.
Divalent cobalt, copper and zinc complexes of (2Z,2′Z)-2,2′-(oxalylbis(hydrazin-2-yl-1-ylidene))dipropionic acid (H4OPA): Synthesis, characterization, computational, conductometric titration and biological potency
Abou-Melha, Khlood S.
, (2021/10/02)
A new series of Co(II), Cu(II) and Zn(II) complexes have been synthesized with (2Z,2′Z)-2,2′-(oxalylbis(hydrazin-2-yl-1-ylidene))dipropionic acid (H4OPA). Specific spectroscopic methods used for the investigation of the prepared solid compounds' structure. The results of analytical and spectroscopic investigation revealed that ligand behaves as neutral tetradentate, binegative hexadentate and tetra-negative hexadentate with Cu(II), Co(II) and Zn(II) metal ions, respectively. The 1:1 binding manner between ligand, H4OPA and Cu2+ ions was evaluated by Job-plot technique. By applying the DFT theory, the optimized structures of the complexes were verified. In order to determine the kinetic and thermodynamic parameters by Horowitz–Metzger and Coats–Redfern approaches, thermal degradation curves for Co(II) complex was discussed. Furthermore, the association and formation constants as well as their ΔG values energies of Co(II) and Cu(II) complexes have been evaluated at 298.15 K in a 5% mixture of DMSO and ethanol. The conductometric results showed that the formation of Co(II) metal ion was (1:2) (L/M) but, the metal ion Cu(II) exhibits (1:3) (L/M) formation ratio. Moreover, all isolated compounds have been tested for biological potency shows that Zn(II) complex had the highest biological activity.
Ultralow-Molecular-Weight Stimuli-Responsive and Multifunctional Supramolecular Gels Based on Monomers and Trimers of Hydrazides
Wu, Dehua,Song, Jintong,Qu, Lang,Zhou, Weilan,Wang, Lei,Zhou, Xiangge,Xiang, Haifeng
supporting information, p. 3370 - 3378 (2020/10/02)
The simpler, the better. A series of simple, neutral and ultralow-molecular-weight (MW: 140–200) hydrazide-derived supramolecular gelators have been designed and synthesized in two straightforward steps. For non-conjugated cyclohexane-derived hydrazides, their monomers can self-assemble to form gels through intermolecular hydrogen bonds and dipole-dipole interactions. Significantly, conjugated phthalhydrazide can self-aggregate into planar and circular trimers through intermolecular hydrogen bonds and then self-assemble to form gels through intermolecular π–π stacking interactions. It is interesting that these simple gelators exhibit unusual properties, such as self-healing, multi-response fluorescence, and visual and selective recognition of chiral (R)/(S)-1,1′-binaphthalene-2,2′-diamine and S2? through much different times of gel re-formation and blue-green color change, respectively. These results underline the importance of supramolecular gels and extend the scope of supramolecular gelators.
