Search results for "splitting"
showing 10 items of 220 documents
2D Slab Models of Nanotubes Based on Tetragonal TiO2 Structures: Validation over a Diameter Range
2021
This research was funded by the M-ERA.NET project ?Multiscale computer modelling, synthesis and rational design of photo(electro)catalysts for efficient visible-light-driven seawater splitting? (CatWatSplit). Institute of Solid State Physics, University of Latvia as the Center of Excel-lence has received funding from the European Union?s Horizon 2020 Framework Program H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under Grant Agreement No. 739508, project CAMART2.
Spin relaxation in Cu and Al spin conduits
2014
We study the spin relaxation in Al and Cu spin conduits embedded in non-local spin valve nanostructures. Measuring the key spin transport properties, we determine the spin and charge diffusion constants as well as the spin flip time. By varying the temperature, we find that the maximum of the non-local spin resistance change occurs at finite temperatures with a clear difference between Al and Cu. In particular, we find that the maximum of the non-local spin signal in Al is less pronounced and occurs at lower temperatures compared to Cu suggesting that the self-passivating Al surface plays a role. Having fabricated devices with both materials in identical processes, we can attribute the diff…
A new eight-coordinate complex of manganese(II): synthesis, crystal structure, spectroscopy and magnetic properties of [Mn(Hoxam)2(H2O)4] (H2oxam=oxa…
2001
Abstract The crystal structure of an eight-coordinate manganese(II) compound containing oxamato and water molecules as ligands [Mn(Hoxam)2(H2O)4], were H2oxam=oxamic acid, has been determined by X-ray diffraction on single-crystals. The coordinated oxygen atoms are located at the vertices (corners) of a distorted bicapped trigonal antiprism. Hydrogen bonding is responsible for an extended 3D-network. The magnetic susceptibility data of the compound have been investigated. χMT follows the Curie law, at very low temperatures χMT decreases smoothly due to weak intermolecular interactions and/or due to a small zero field splitting of the sextuplet spin state of the Mn(II).
Synthesis, structure and magnetic characterization of [Fe(bpp)2][Cu(pds)2]2·solv (solv=CH3CN and CH3OH)
2008
A novel salt of the Fe(II) cation [Fe(bpp)2]2+ (bpp = 2,6-bis(pyrazol-3-yl)pyridine) with the [CuIII(pds)2]- anion (pds = pirazine-2,3-diselenolate) formulated as [Fe(bpp)2][Cu(pds)2]2·3CH3CN has been prepared and characterized by single crystal X-ray diffraction and magnetic measurements. The salt presents a layered structure where cations and anions alternate along the b direction with many intermolecular short contacts between the cations and anions. The magnetic properties show that the Fe(II) cations [Fe(bpp)2]2+ present a high-spin S = 2 ground spin state with g = 2.073(1) and a zero field splitting (ZFS) of 7.7(1) cm-1 but no the expected spin transition at low temperatures. © 2008 E…
Strengthened splitting methods for computing resolvents
2021
In this work, we develop a systematic framework for computing the resolvent of the sum of two or more monotone operators which only activates each operator in the sum individually. The key tool in the development of this framework is the notion of the “strengthening” of a set-valued operator, which can be viewed as a type of regularisation that preserves computational tractability. After deriving a number of iterative schemes through this framework, we demonstrate their application to best approximation problems, image denoising and elliptic PDEs. FJAA and RC were partially supported by the Ministry of Science, Innovation and Universities of Spain and the European Regional Development Fund …
Crystal structure, magnetic and spectroscopic properties of the bis(dimethyl sulfoxide) adduct of tetra-μ-formato-dicopper(II), a new tetracarboxylat…
1994
The crystal and molecular structure of a new tetracarboxylato-bridged copper(II) dimer, the bis(dimethyl sulfoxide)tetrakis(μ-formato)dicopper(II) has been determined by X-ray diffraction methods. It crystatlizes in the tetragonal space group I41/a, with Z=8 in a cell of dimensions a=17.688(2), c=10.408(1) Å. The structure is built up of centrosymmetric neutral dimers [Cu2(HCOO)4(dmso)2], where four bidentate carboxylate anions form syn-syn bridges between the metal atoms which are in a 4 + 1 environment. Magnetic susceptibility data show that the copper atoms are strongly antiferromagnetically coupled with J=-434 cm-1. The obtained triplet-singlet energy gap is compared with those reported…
The Series of Molecular Conductors and Superconductors ET4[AFe(C2O4)3]·PhX (ET = bis(ethylenedithio)tetrathiafulvalene; (C2O4)2– = oxalate; A+ = H3O+…
2011
An extensive series of radical salts formed by the organic donor bis(ethylenedithio)tetrathiafulvalene (ET), the paramagnetic tris(oxalato)ferrate(III) anion [Fe(C(2)O(4))(3)](3-), and halobenzene guest molecules has been synthesized and characterized. The change of the halogen atom in this series has allowed the study of the effect of the size and charge polarization on the crystal structures and physical properties while keeping the geometry of the guest molecule. The general formula of the salts is ET(4)[A(I)Fe(C(2)O(4))(3)]·G with A/G = H(3)O(+)/PhF (1); H(3)O(+)/PhCl (2); H(3)O(+)/PhBr (3), and K(+)/PhI (4), (crystal data at room temperature: (1) monoclinic, space group C2/c with a = 1…
Synthesis of polymeric alkoxides from dialkyltin(IV) oxides and chloral, and their characterization by mössbauer and infrared spectroscopy
1979
Abstract The reaction of (Alk2SnO)n with OCH·CCl3 gives compounds of elemental formula Alk2SnOCH- (CCI3)O (Alk = Bun, Octn), probably by addition of the Sn-O bond to the carbonyl group. Mossbauer parameters suggest the occurrence of five-coordinated Sn, and polymeric structures with bridging three- coordinating oxygens are proposed. The assumption that C2SnO3 units with trigonal bipyramidal type structures are present is consistent with point-charge model rationalization of the quadrupole splitting. Infrared spectra are in keeping with the proposed structures, suggesting, inter alia, bent C Sn C skeletons, but the analysis of possible ν(Sn-O) modes does not provide conclusive evidence for t…
The interaction of S,N-coordinated dimethyltin(IV) derivatives with deoxyribonucleic acid: structure and dynamics by119Sn Mössbauer spectroscopy
1999
Complexes Me2SnCl(SPy) and Me2SnCl(SPym) (HSPy = 2-mercaptopyridine; HSPym = 2-mercaptopyrimidine), from ethanol solutions, interact with aqueous calf-thymus DNA yielding condensed phases with probable Me2Sn(SPy,SPym) (DNA monomer) stoichiometries of 1:1; the condensation of DNA is inferred originated from electrostatic bonding between complex cations Me2Sn(SPy,SPym)+ and the phosphate oxygen of the phosphodiester groups. Octahedral-or trigonal-bipyramidal tin environments are inferred from the point-charge model treatment of the 119Sn Mossbauer parameter nuclear quadrupole splitting, considering the bonding by S and N, or only S donor atoms from the ligand, as well as possible coordination…
Diorganotin(IV)-2-mercaptopyrimidine complexes
1998
The complexes formed between the diorganotin(IV) moieties, R 2 Sn(IV), and the ligand 2-mercaptopyrimidine, (H)SPym, were investigated. Complexes R 2 SnHal(SPym) and R 2 Sn(SPym) 2 [R = Me, i Pr, n Bu, i Bu, t Bu, cyclohexyl(Cy), Ph] were synthesized, and characterized by elemental analysis. In the solid state, chelation of SPym through S and N donors was established by IR spectroscopy, and the nature of the environment of tin centers was investigated by 119 Sn Mossbauer spectroscopy. From the dynamics of 119 Sn nuclei determined by variable-temperature measurements on representative compounds [Me 2 SnCl(SPym) and Cy 2- SnBr(SPym)], as well as by point-charge model treatment of nuclear quad…