Search results for "Splitting"
showing 10 items of 220 documents
Slow Magnetic Relaxation in a Co (II)–Y (III) Single‐Ion Magnet with Positive Axial Zero‐Field Splitting
2013
This work was supported by the MINECO (Spain) (Project CTQ2011-24478), the Junta de Andalucía (FQM-195 and Project of excellence P08-FQM-03705), and the University of Granada. E.R. and E.Cr. thank MINECO grant No. CTQ2011-23862-C02-01 and Generalitat de Catalunya grant No. 2009SGR-1459, for financial support. We would like to thank Prof. Liviu Chibotaru for providing us the SINGLE_ANISO program and Dr. Andrew Ozarowski for the EPR simulation software. E.K.B. thanks the EPSRC and Leverhulme Trust for financial support. The NHMFL is funded by the NSF, DoE, and the state of Florida. J.C. acknowledges financial support by the Spanish Ministerio de Ciencia e Innovación through projects CTQ2010-1…
Organotin(IV) complexes with tetraethyl ethylene- and propylene-diphosphonates
1995
The series of organotin halide complexes with tetraethyl ethylene- and propylene-diphosphonates R n SnX 4-n .L [n=0, X=Cl; n=1, R=Me, X=Cl, Br; n=1, R=Ph, X=Cl; n=2 R=Me, Et, Bu, X=Cl, Br; n=2, R=Ph, X=Cl; L=(EtO) 2 P(O)CH 2 CHR'P(O)(OEt) 2 , R'=H, Me] were synthesized and characterized by means of NMR and Mossbauer spectroscopy. The crystal structure of the complex of diphenyltin dichloride with propylenediphosphonate was determined. The complex consists of polymer chains with bridging bidentate ligands and an octahedral tin environment containing two types of phosphoryl fragments. All of the R 2 SnX 2 adducts have trans-R 2 SnX 4 geometries of tin coordination octahedra according to the q…
Exchange Coupling Mediated by N–H···Cl Hydrogen Bonds: Experimental and Theoretical Study of the Frustrated Magnetic System in Bis(o-phenylenediamine…
2012
The title compound crystallizes in the monoclinic P2(1)/c space group with a = 11.2470(3) A, b = 5.9034(2) A, c = 12.0886(3) A, β = 115.143(1)°, and V = 726.58(4) A(3) and consists of discrete monomeric NiCl(2)(o-phenylendiamine)(2) molecules. Each o-phen ligand coordinates in a bidentate mode with the chloride ions occupying trans positions in the resulting tetragonally distorted octahedral coordination sphere. Two discrete sets of N-H···Cl hydrogen bonds link the octahedral molecules into a two-dimensional network, with type 1 interactions linking adjacent monomers along the c axis and type 2 interactions linking monomers along the diagonals in the bc plane. Analysis of the magnetic data …
Characterization of complexes formed between [Me2Sn(IV)]2+ and carboxymethylcelluloses.
2006
Complexes formed between carboxymethylcellulose (CMC) and the [Me(2)Sn(IV)]2+ cation have been prepared in the solid state and characterized by FTIR and Mossbauer spectroscopy. The complexes contained CMC with varying molar weight and degree of carboxylation, and the complexes were isolated both from acidic and from neutral solutions at varying metal-to-ligand ratios. The characteristic vibration bands of the ligands were identified from their pH-dependent FTIR spectra. In the organotin(IV) complexes obtained at pH approximately 2, the -COO- moieties were found to be coordinated in a monodentate manner, and the band characteristic of the protonated (unbound) -COO- group(s) was also identifi…
Syntheses, structural characterisation and magnetic properties of Fe(ii) and Mn(ii) compounds with the pentacyanopropenido ligand; structural charact…
2006
International audience; Reactions between the metal(II) salts [M(CH3CN)n](BF4)2 (M = Fe, n = 6; M = Mn, n = 4) and some organic anionic polynitriles were studied. With the pentacyanopropenide anion pcp− [pcp− = (NC)2CC(CN)C(CN)2−], were obtained, according to the experimental conditions, the new complexes [M(pcp)2(H2O)4] (1, M = Fe; 2, M = Mn) and [M(pcp)2] (3, M = Fe; 4 = Mn). Use of the hexacyano-3,4-diazahexadienediide anion [(NC)2CC(CN)NNC(CN)C(CN)22−] instead of pcp− did not afford polynitrile metal complexes but led to a new organic derivative 5, of formula C10N8H2. Crystallographic studies indicated that the isostructural compounds 1 and 2 involve discrete monomeric units with pcp li…
Organometallic complexes with biological molecules II. Synthesis, solid-state characterization andin vivo Cytotoxicity of Diorganotin(IV)chloro and T…
1994
Several new diorganotin(IV)chloro and triorganotin(IV)chloro penicillin G derivatives have been prepared. The isolated compounds showed 1:1 stoichiometry, with formulae R2SnClpenG and R3SnClpenGNa, respectively (penG− = penicillin G− = 4- thia - 1 - azabicyclo[3.2.0]heptane-2-carboxylate, 3,3-dimethyl-7-oxo-6-(2-phenylacet-amido) anion; R = Me, Bu, Ph). The coordination environment around the the tin(IV) atom, in all of the complexes, was trigonal bipyramidal. Penicillin G behaved as a monoanionic, bismonodentate ligand in R2SnClpenG through the β-lactamic carbonyl and unidentate ester-type carboxylate anion, and as unidentate through the β-lactamic carbonyl in R3SnClpenGNa, as inferred on …
Structural characterization of triorganotin(IV) complexes with sodium fusidate and DFT calculations
2010
Abstract Three new complexes of the steroid sodium fusidate (sodium 2-[(1 S ,2 S ,5 R ,6 S ,7 S ,10 S ,11 S ,13 S , 14 Z ,15 R ,17 R )-13-(acetyloxy)-5,17-dihydroxy-2,6,10,11-tetramethyl tetracyclo[8.7.0.0 2,7 .0 11,15 ] heptadecan-14-ylidene]-6-methylhept-5-enoate = (NaFusidate, Na FA )]), with triorganotin(IV) moieties have been prepared and investigated by conventional techniques as FTIR, Mossbauer, ESI-MS and NMR spectroscopy. The isolated compounds showed stoichiometries organotin(IV)/fusidate 1/1, R 3 Sn(IV) FA (R = Me, FA1 ; Bu, FA2 ; Ph, FA3 ). The ligand coordination sites were determined by FTIR spectroscopic measurements. In the complexes, the carboxylate group of the fusidate li…
Electronic properties and high-pressure behavior of wolframite-type CoWO4
2021
In this work we characterize wolframite-type CoWO4 under ambient conditions and under compression up to 10 GPa, with emphasis on its electronic structure. X-Ray diffraction and vibrational experiments, supported by ab initio calculations, show that CoWO4 is stable under high-pressure conditions, as no structural changes are detected in the studied pressure range. Interesting findings come from optical absorption spectroscopy. On the one hand, CoWO4 is confirmed to have one of the lowest band gaps among similar wolframites, around 2.25 eV. This makes CoWO4 suitable for use in applications such as the photocatalysis of organic pollutants and water splitting. Additionally, a monotonic decrease…
Crystal structure, magnetic and spectroscopic properties of copper(II) formato dimethylformamide: a new tetracarboxylato-bridged copper(II) dimer
2002
Abstract The crystal and molecular structure of a new tetracarboxylato copper(II) dimer [bis(dimethylformamide)tetrakis(μ-formato)dicopper(II)], has been determined by X-ray diffraction methods. The crystal structure consists of a centrosymmetric dimer [Cu2(HCOO)4(dmf)2], where four bidentate formato anions form syn–syn bridges between the metal ions which are in a 4+1 environment. Magnetic susceptibility data show that the copper ions are strongly antiferromagnetically coupled with J=−470 cm−1. The EPR spectrum shows a characteristic pattern of a triplet state with a D zero field splitting value of 0.27 cm−1.
Irreducible components of Hurwitz spaces parameterizing Galois coverings of curves of positive genus
2014
Let Y be a smooth, projective, irreducible complex curve. A G-covering p : C → Y is a Galois covering, where C is a smooth, projective, irreducible curve and an isomorphism G ∼ −→ Aut(C/Y ) is fixed. Two G-coverings are equivalent if there is a G-equivariant isomorphism between them. We are concerned with the Hurwitz spaces H n (Y ) and H G n (Y, y0). The first one parameterizes Gequivalence classes of G-coverings of Y branched in n points. The second one, given a point y0 ∈ Y , parameterizes G-equivalence classes of pairs [p : C → Y, z0], where p : C → Y is a G-covering unramified at y0 and z0 ∈ p (y0). When G = Sd one can equivalently consider coverings f : X → Y of degree d with full mon…