24359-56-6Relevant academic research and scientific papers
Radical-based epoxide opening by titanocenes
Cang?nül, Asli,Behlendorf, Maike,Gans?uer, Andreas,Van Gastel, Maurice
, p. 11859 - 11866 (2013)
The binding of 2,2-diphenyloxirane to Cp2TiCl is studied on the electronic level by magnetic resonance spectroscopy and quantum chemical calculations. The complexation of 2,2-diphenyloxirane is accompanied by dissociation of the chloride ligand, and thus, the epoxide binds to the cationic titanocene(III) complex. The titanocene(III)-epoxide species persists only for short periods of time (A short-lived paramagnetic titanocene(IV)-epoxide radical species has not been directly observed. However, by a combination of isotope labeling and spin-trapping, evidence for the existence of such a species has been unequivocally demonstrated. The observation of a titanocene(III)-epoxide complex is unprecedented and provides direct evidence for inner-sphere electron transfer between epoxides and titanocenes, responsible for the high regioselectivity of ring-opening.
Reaction of zinc oxide with ammonium chloride
Borisov,D'Yachenko,Kraidenko
, p. 499 - 501 (2012)
The reaction of ammonium chloride with zinc oxide was studied kinetically and thermogravimet-rically. Reaction products were identified by IR spectroscopy and X-ray powder diffraction. Ammonium chlorozincates were found to form in the reaction and to deco
Oxidation of zinc with dicarbonylcyclopentadienyliron chloride in polar solvents
Usanov,Maslennikov,Spirina
, p. 332 - 334 (2005)
The kinetic and activation parameters of zinc oxidation with dicarbonylcyclopentadienyliron chloride in dimethylformamide were found. The apparent equilibrium constants, enthalpy, and entropy of the adsorption of the reagents on the metal surface were determined. A reaction scheme was suggested. 2005 Pleiades Publishing, Inc.
Empirical correlations involving calorimetric, thermogravimetric and infrared data for zinc halides adducts
De Farias, Robson F.,Airoldi, Claudio,Scatena Jr., Hélio
, p. 1677 - 1681 (2002)
The use of the non-isothermal Coats-Redfern method to obtain the activation energy values for the processes ZnX2·2hmpa(c) → ZnX2(c)+2hmpa(g) (X = Cl, Br, I and hmpa = hexamethylphosphoramide), by using thermogravimetric data, gave the values 44; 94 and 215 kJ mol-1 for the given sequence of halides. These values correlated to the standard molar enthalpy of formation in the condensed phase for the same sequence of adducts: - 1596, - 1532 and - 1408 kJ mol-1, respectively, providing the equation: ΔfH°m = 1.086 × Ea - 1639.738, which shows a linear correlation between the thermodynamic and kinetic parameters for such solid adducts. The IR spectroscopy data for a series of adducts of zinc halides with amides enabled the acquisition of an equation to estimate the mean metal-ligand bond enthalpy 〈D〉(M-L) values: the spectroscopic data were adjusted to the expression 〈D〉(M-L) = α + β + Δν, where αand β are related to Lewis acidity and basicity coordination features, respectively, and Δν is the difference between C=O or P=O stretching vibrations of the coordinated and uncoordinated ligands. This equation was applied for 15 adducts, showing a deviation less than 10% from the thermochemical values.
Cu2ZnSnS4crystal growth using an SnCl2based flux
Kokh,Atuchin,Adichtchev,Gavrilova,Bakhadur,Klimov,Korolkov,Kuratieva,Mukherjee,Pervukhina,Surovtsev
, p. 1025 - 1032 (2021)
The stoichiometry and phase homogeneity of the kesterite type compound Cu2ZnSnS4play a key role in its efficiency in solar cells. In this work, CuCl2, ZnCl2and SnCl2were applied as solvents in the Cu2ZnSnS4crystal growth for the first time. The multiphase ingot was obtained by direct fusion of the stoichiometric batch composed of constituent elements. Compared to that, the material recrystallized in SnCl2presented a single-phase Zn-rich kesterite with composition Cu1.94Zn1.06SnS4and unit cell parameters ofa= 5.4324(3) andc= 10.8383(2) ?. The crystal structure of Cu1.94Zn1.06SnS4was determined by single crystal X-ray diffraction analysis. The integral phase purity of the crystals grown with the use of the SnCl2solvent was verified by powder X-ray diffraction analysis and Raman measurements. In the Raman spectrum, the FWHM value of the 337 cm?1line was as low as 9.6 cm?1that indicates the minimal lattice disorder.
Synthesis and thermal behaviour of new zinc halogeno complex compounds with phenazone and nicotinamide
Gyoryova,Balek,Melnik,El-Dien
, p. 577 - 584 (1998)
New zinc complex compounds of general formula ZnL2,X2 {X = CI, Br; L = phenazone(phen), nicotinamide(nam)} were synthesized. The new compounds were characterized by elemental analysis, IR spectroscopy and DTA, TG/DTG methods. Thermal
Head-on versus side-on [5-5]bitrovacenes featuring benzene and naphthalene units as spacers: How π-stacking affects exchange coupling and redox splitting
Elschenbroich, Christoph,Wolf, Matthias,Schiemann, Olav,Harms, Klaus,Burghaus, Olaf,Pebler, Jürgen
, p. 5810 - 5819 (2002)
The biradicals 1,8-di([5]trovacenyl)naphthalene (6), 1,5-di([5]trovacenyl)naphthalene (7), and 1,3-di([5]trovacenyl)benzene (8) and the monoradical 1-[5]trovacenylnaphthalene (9) have been prepared and studied by means of single-crystal X-ray diffraction
Structural and spectral characterization of the compounds nGly·ZnCl2·mH2O (n = 1,2,3; m = 0,2)
Tepavitcharova,Havlí?ek,Němec,Vojtí?ek,Rabadjieva,Plocek
, p. 55 - 63 (2009)
The coordination behaviour of Zn2+ ions in chloride-glycine aqueous solutions and the formation of different complexes were discussed to predict the crystallization of compounds. The crystal structures of three compounds, Gly·ZnCl2,
Complexation of 2-hydroxynicotinic and 3-hydroxypicolinic acids with zinc(II). Solution state study and crystal structure of trans-diaqua-bis-(3- hydroxypicolinato)zinc(II)
Di Marco, Valerio B.,Tapparo, Andrea,Dolmella, Alessandro,Bombi, G. Giorgio
, p. 135 - 142 (2004)
The interactions between zinc(II) and the two ligands 2-hydroxynicotinic acid (HNic) and 3-hydroxypicolinic acid (HPic) have been investigated by means of potentiometric titrations in aqueous 0.6 m (Na)Cl at 25 °C. In both cases, only mononuclear complexes are formed. The qualitative and quantitative results obtained have been confirmed in part by UV-Vis spectrophotometry and 1H NMR spectroscopy. The complex trans-diaqua-bis-(3- hydroxypicolinato)zinc(II) was obtained as a crystal and examined by X-ray crystallography. The thermodynamic results allow drawing some conclusions regarding the extent of Zn(II) interference in a hypothetical chelation therapy treatment of aluminium or iron overload with these two ligands.
Influence of manganese on magnetic and electronic properties of ZnCr 2Se4
Jendrzejewska, Izabela,Zajdel, Pawe?,Heimann, Jan,Krok-Kowalski, Józef,Mydlarz, Tadeusz,Mrzigod, Janusz
, p. 1881 - 1886 (2012)
The Zn1-xMnxCr2Se4 crystals were prepared by chemical vapor transport in closed silica tubes using ZnSe and MnSe with CrCl3 as the transport agent. Four crystals with different Mn content (x = 0.12, 0.13, 0.18 and 0.24) were studied by X-ray photoelectron spectroscopy (XPS) and magnetic measurements in order to determine influence of manganese on their magnetic and electronic properties. The XPS revealed no change of chemical shifts of Cr core lines indicating a Cr3+ (3d 3) electronic configuration. Magnetization measurements revealed a systematic increase in saturation magnetic moments from 6.32 μB/mol for x = 0.12 to 7.63 μB/mol for x = 0.24, as well as effective paramagnetic Bohr magneton numbers from 4.87 μB/mol for x = 0.12 to 6.91 μB/mol for x = 0.24.
