Xi:Irritant;12680-02-3Relevant articles and documents
Vaporization of LaCrO3: Partial and integral thermodynamic properties
Peck, Dong-Huyn,Miller, Miroslaw,Kobertz, Dietmar,Nickel, Hubertus,Hilpert, Klaus
, p. 3266 - 3272 (1996)
The vaporization of LaCrO3(s) and samples of the composition LaCrO3 + La2O3 was investigated in the temperature range of 1887-2333 K by Knudsen effusion mass spectrometry using Knudsen cells made of tungsten lined completely with iridium. The species Cr(g), CrO(g), CrO2(g), and LaO(g) were identified in the vapor. Their partial pressures were determined by calibration with pure platinum solid. The thermodynamic activity of Cr2O3, aCr2O3, in LaCrO3 for the Cr2O3-poor phase boundary of this phase was In aCr2O3 = -(17953/T) - 0.485 (temperature T given in K) for the temperature range of the measurements with a probable overall error of ±13%. The following values and temperature dependence of ΔG°f,T resulted for the formation of LaCrO3(s) according to the reaction 0.5Cr2O3(s) + 0.5La2O3(s) → LaCrO3(s): ΔG°f,2100 = -78.9 ± 1.1 kJ/mol, ΔH°f,298 = -76.8 ± 5.2 kJ/mol, and ΔG°f,T(kJ/mol) = -74.7 - 0.00202T. Computations for the vaporization of LaCrO3 were conducted to show the volatility of this material in different atmospheres at high temperatures.
Synthesis, characterization, potential antimicrobial, antioxidant, anticancer, DNA binding, and molecular docking activities and DFT on novel Co(II), Ni(II), VO(II), Cr(III), and La(III) Schiff base complexes
Abdel-Rahman, Laila H.,Basha, Maram T.,Al-Farhan, Badriah Saad,Shehata, Mohamed R.,Abdalla, Ehab M.
, (2021/11/01)
In this study, five novel complexes for Co(II), Ni(II), VO(II), Cr(III), and La(III) ions were synthesized from a tridentate NNO monobasic chelating Schiff base ligand, (Z)-2-((pyridin-2-ylimino)methyl)phenol (HL). Spectral and analytical tools were applied to elucidate the structural compositions of the new compounds. Then, geometry optimization was conducted for all the syntheses by the Gaussian 09 program via the density functional theory method to obtain optimal structures and the most essential parameters. Moreover, the biochemical behaviors of all the syntheses were explored based on the reactivity, which was tested against various cancer cell lines (HepG-2, MCF-7, and HCT-116). The complexes exhibited an interestingly antiproliferative potential against human cancer cell lines, and the cytotoxicities of the new complexes were arranged to follow the order: VOL > CrL > NiL > LaL > CoL > HL. The antioxidant behaviors of the complexes were studied using the DPPH assay, and VOL showed the maximum antioxidant activity, followed by LaL. The antibacterial activities of the HL ligand and its complexes were studied. Moreover, the binding nature of the complexes with calf thymus DNA (CT-DNA) was investigated based on the spectrophotometric absorption titration, viscosity, and gel electrophoresis methods. The binding ability of the complexes with CT-DNA was proposed to be just intercalation or replacement mode. The intrinsic binding constant Kb was calculated and arranged based on the following order: VOL (5.2 × 105) > CrL (3.6 × 105) > NiL (3.3 × 105) > LaL (3.0 × 105) > CoL (1.12 × 105) mol?1?dm?3. Docking investigations were performed using the receptors of COVID-19's main protease viral protein (PDB ID: 6LU7) and Escherichia coli (gram [–ve] bacteria [PDB ID: 1fj4]).
Reactions of laser-ablated Y and La atoms with H2O infrared spectra and density functional calculations of the HMO, HMOH and M(OH)2 molecules in solid argon
Zhang, Luning,Shao, Limin,Zhou, Mingfei
, p. 27 - 36 (2008/10/08)
Reactions of laser-ablated Y and La atoms with water molecules have been studied using matrix-isolation FTIR spectroscopy and density functional calculations. The reaction products were identified based on isotope labeled experiments and density functiona
