12680-02-3Relevant academic research and scientific papers
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.
The permanent electric dipole moments for the A 2Π and B 2Σ+ states and the hyperfine interactions in the A 2Π state of lanthanum monoxide, LaO
Steimle,Virgo, Wilton
, p. 6012 - 6020 (2002)
The series ScO, YO, and LAO are prototypical examples of transition-metal-oxide bonded molecules. This paper discusses the work on LaO which resulted in the first complete set of dipole moment measurements for the X2Σ+, A2
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]).
Heavy water reactions with atomic transition-metal and main-group cations: Gas phase room-temperature kinetics and periodicities in reactivity
Cheng, Ping,Koyanagi, Gregory K.,Bohme, Diethard K.
, p. 8561 - 8573 (2008/10/09)
Reactions of heavy water, D2O, have been measured with 46 atomic metal cations at room temperature in a helium bath gas at 0.35 Torr using an inductively coupled plasma/selected ion flow tube tandem mass spectrometer. The atomic cations were produced at ca. 5500 K in an ICP source and were allowed to decay radiatively and thermalize by collisions with Ar and He atoms prior to reaction. Rate coefficients and product distributions are reported for the reactions of fourth-row atomic cations from K+ to Se+, of fifth-row atomic cations from Rb+ to Te+ (excluding Tc+), and of sixth-row atomic cations from Cs+ to Bi +. Primary reaction channels were observed leading to O-atom transfer, OD transfer, and D2O addition. O-Atom transfer occurs almost exclusively (≥90%) in the reactions with most early transition-metal cations (Sc+, Ti+, V+, Y+, Zr +, Nb+, Mo+, Hf+, Ta+, and W+) and to a minor extent (10%) with one main-group cation (As+). OD transfer is observed to occur only with three cations (Sr+, Ba+, and La+). Other cations, including most late transition and main-group cations, were observed to react with D 2O exclusively and slowly by D2O addition or not at all. O-Atom transfer proceeds with rate coefficients in the range of 8.1 × 10-13 (As+) to 9.5 × 10-10 (Y +) cm3 molecule-1 s-1 and with efficiencies below 0.1 and even below 0.01 for the fourth-row atomic cations V+ (0.0032) and As+ (0.0036). These low efficiencies can be understood in terms of the change in spin required to proceed from the reactant to the product potential energy surfaces. Higher order reactions are also measured. The primary products, NbO+, TaO+, MoO +, and WO+, are observed to react further with D 2O by O-atom transfer, and ZrO+ and HfO+ react further through OD group abstraction. Up to five D2O molecules were observed to add sequentially to selected M+ and MO+ as well as MO2+ cations and four to MO2D +. Equilibrium measurements for sequential D2O addition to M+ are also reported. The periodic variation in the efficiency (k/kc) of the first addition of D2O appears to be similar to the periodic variation in the standard free energy (ΔG°) of hydration.
Vaporization of Sr- and Mg-Doped Lanthanum Gallate and Implications for Solid Oxide Fuel Cells
Kuncewicz-Kupczyk, Wioletta,Kobertz, Dietmar,Miller, Miroslaw,Singheiser, Lorenz,Hilpert, Klaus
, p. E276-E281 (2008/10/08)
Vaporization of the La0.85Sr0.15Ga0.85Mg0.15O 2.85, and La0.90Sr0.10Ga0.80Mg0.20O 2.85 perovskite phases was investigated by the use of Knudsen e
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
Temperature dependent rate constants for the reactions of gas phase lanthanides with N2O
Campbell, Mark L.
, p. 562 - 566 (2007/10/03)
The reactivity of gas phase lanthanide (Ln) atoms (Ln=La-Yb with the exception of Pm) with N2O from 298 to 623 K is reported. Lanthanide atoms were produced by the photodissociation of Ln(TMHD)3 (TMHD=2,2,6,6-tetramethyl-3,5-heptanat
A new hypermetallic molecule LaOMn generated by laser ablation
Wang, Xue-Feng,Dang, Hai-Jun,Gu, Zhen-Ning,Qin, Qi-Zong
, p. 739 - 744 (2008/10/08)
A new hypermetallic oxide LaOMn and its positive ion involving two heterometal atoms were observed and identified in the 532 nm laser ablation of a La0.67Ca0.33MnO3 target using both time-resolved quadrupole mass spectrometric and time-of-flight mass spectrometric techniques. The dependence of LaOMn+ yield on the laser fluence also confirmed the formation of the ionic hypermetallic species. Theoretical calculations were carried out to predict the stability and the geometric structures of these new molecules. The calculations suggest that the LaOMn and LaOMn+ molecules might be formed via secondary reactions of the neutral and ionic MnO with La or La+ in the laser ablated plasma.
Kinetic study of gas-phase Y(a 2D3/2) and La(a 2D3/2) with O2, N2O, CO2 and NO
Campbell, Mark L.
, p. 339 - 344 (2008/10/08)
The second-order rate constants of gas-phase Y(a 2D3/2) and La(a 2D3/2) with O2, N2O, CO2 and NO as a function of temperature are reported. In all cases, the reactions are relatively fast. For Y(a 2D3/2), the bimolecular rate constants (in cm3 s-1) are described in Arrhenius form by k(O2)=(2.2±0.1)×10-10 exp(-3.5±0.6 kJ mol-1/RT), k(N2O)=(1.9±0.2)×10-10 exp(-4.0±0.8 kJ mol-1/RT), k(CO2)=(1.0±0.1)×10-10 exp(-2.3±0.6 kJ mol-1/RT), where the uncertainties are ±2σ. The rate constants for Y reacting with NO are temperature insensitive with a value of 1.0×10-10 cm3 s-1. For La(a 2D3/2), the bimolecular rate constants for all the reactants are near the gas-kinetic collision rate.
Gas-phase Metal Oxidation Reactions studied by Chemielectron Spectroscopy and Chemiion Mass Spectrometry: Reactions of Cerium and Lanthanum with O2(X 3Ζ-g), O2(a 1Δg) and O(3P)
Cockett, Martin C. R.,Dyke, John M.,Ellis, Andrew M.,Wright, Timothy G.
, p. 19 - 29 (2007/10/02)
The gas-phase reactions M + O2(X3Ζ-g), M + O2(a 1Δg) and M + O(3P) have been studied with chemielectron spectroscopy, where M represents one of the lanthanide metals, cerium or lanthanum.Assignment of the observed bands has been assisted by mass analysis of the ions produced and by approximate kinetic modelling calculations.For the M + O2(X 3Ζ-g) and M + O2 (a 1Δg) associative ionization reactions, most of the excess energy appears as electron kinetic energy, whereas for the M + O(3P) reactions a larger fraction of the reaction energy is retained in the positive ion.
