Search results for " split"
showing 10 items of 264 documents
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…
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…
A novel polynitrile ligand with different coordination modes: Synthesis, structure and magnetic properties of the series [M(tcnoprOH)2(H2O)2] (M=Mn, …
2008
International audience; A novel polynitrile ligand (tcnoprOH− = [(NC)2CC(OCH2CH2CH2OH)C(CN)2]−) with up to five potentially coordinating groups has been synthesized in a one-pot reaction from a cyclic acetal and malononitrile. The combination of this novel ligand with different transition metal ions has led to the synthesis of two different structural types with the same formula but with different coordination modes in the ligand. Mn(II) and Cu(II) lead to a μ2-N,O-coordinating mode in the series of compounds formulated as [M(N,O-tcnoprOH)2(H2O)2] (M = MnII (1) and CuII (2)), whereas Co(II) and, most probably Ni(II), lead to a μ2-N,N′-coordinating mode in [Co(N,N′-tcnoprOH)2(H2O)2] (3). Bot…
Adducts of tin(IV) and organotin(IV) derivatives with 2,2′-azopyridine II. Crystal and molecular structure of SnMe2Br2AZP and further mössbauer and p…
1990
Abstract A series of adducts of tin(IV) derivatives with 2,2′-azopyridine, AZP, has been studied by Mossbauer and X-ray photoelectronic spectroscopies and the crystal and molecular structure of SnMe2Br2- AZP has been determined. The linear correlation of the Mossbauer parameter isomer shift with partial atomic charge on tin suggests the occurrence of a single homologous series of isostructural adducts. The correlation of the Mossbauer parameter quadrupole splitting and C-Sn-C bond angle permits their calculation in SnMe2X2AZP adducts (X = Cl, Br). The N1s binding energies, obtained by XPS data, pointed out two slightly different values for both pyridinic and azo-group nitrogens. The crystal…
Mössbauer study of the solid state configuration of triorganotin derivatives with intramolecular coordination
1980
Triorganotin bromides with intramolecular nitrogen-to-tin coordination (I-VIII, Fig. 1) have been structurally investigated by Mossbauer and infrared spectroscopy. Mossbauer-Zeeman spectra have been measured for I and VIII in order to obtain the sign of the nuclear quadrupole splitting ΔE and the value of the asymmetry parameter η. Point-charge model values of ΔE and η have been calculated for environments of tin atoms in I-VIII which are plausible in view of the results of previous investigations. From trends of experimental ΔE in the series, and from the agreement between experimental and calculated Mossbauer parameters it is concluded that the compounds I-VIII all have trigonal bipyramid…
WENO schemes applied to the quasi-relativistic Vlasov-Maxwell model for laser-plasma interaction
2014
Abstract In this paper we focus on WENO-based methods for the simulation of the 1D Quasi-Relativistic Vlasov–Maxwell (QRVM) model used to describe how a laser wave interacts with and heats a plasma by penetrating into it. We propose several non-oscillatory methods based on either Runge–Kutta (explicit) or Time-Splitting (implicit) time discretizations. We then show preliminary numerical experiments.