Search results for "metalli"
showing 10 items of 993 documents
Ferrimagnetic Heisenberg chain; influence of a random exchange interaction
1985
We report on the magnetic behavior of ‘‘rigid’’ ferrimagnetic chains isolated in bimetallic complexes of the EDTA and ‘‘flexible’’ ones obtained in the amorphous variety. As shown by LAXS, the only noteworthy difference in the amorphous state is the random distribution of bond angles between nearest neighbors within chains. The ‘‘rigid’’ bimetallic chains in CoNi(EDTA)6H2O are described in terms of Heisenberg model with an exchange coupling J=−7.5 K. The behavior of the amorphous variety somewhat differs, following the law X=AT−0.8 typical of REHAC. A classical spin chain model involving a J distribution and alternating g factors allows to explain successfully the temperature dependence of …
Sequestration of organomettalic compounds by synthetic and naturally occuring polycarboxylate ligands. Binding of monomethylmercury(II) by polyacryli…
2007
The sequestering capacity of synthetic and naturally occurring polycarboxylate ligands towards mono- methylmercury(II) was evaluated by stability quantitative data on the interaction of CH3Hgþ with different molecular weight synthetic polyacrylates (2 and 20 kDa average M.wt) and alginate (70– 100 kDa) extracted from brown algae Macrocystis pyrifera. The influence of ionic medium was evaluated by measurements on the CH3Hgþ-polyacrylate systems in NaNO3 medium at different ionic strengths (0.10, 0.25, 0.50 and 0.75mol Lÿ1), and a Debye–Hu¨ ckel type equation was used for the dependence of complex formation constants on ionic strength. Measurements on the CH3Hgþ - alginate system were carried…
A Rational Design for Imidazolate-Bridged Linear Trinuclear Compounds from Mononuclear Copper(II) Complexes with 2-[((Imidazol-2-ylmethylidene)amino)…
2001
Two mononuclear copper(II) complexes with the unsymmetrical tridentate ligand 2-[((imidazol-2-ylmethylidene)amino)ethyl]pyridine (HL), [Cu(HL)(H2O)](ClO4)2.2H2O (1) and [Cu(HL)Cl2] (2), have been prepared and characterized. The X-ray analysis of 2 revealed that the copper(II) ion assumes a pentacoordinated square pyramidal geometry with an N3Cl2 donor set. When 1 and 2 are treated with an equimolecular amount of potassium hydroxide, the deprotonation of the imidazole moiety promotes a self-assembled process, by coordination of the imidazolate nitrogen atom to a Cu(II) center of an adjacent unit, leading to the polynuclear complexes [[Cu(L)(H2O)](ClO4)]n (3) and [[Cu(L)Cl].2H2O]n (4). Variab…
Real-time time-dependent density functional theory implementation of electronic circular dichroism applied to nanoscale metal–organic clusters
2020
| openaire: EC/H2020/838996/EU//RealNanoPlasmon Electronic circular dichroism (ECD) is a powerful spectroscopy method for investigating chiral properties at the molecular level. ECD calculations with the commonly used linear-response time-dependent density functional theory (LR-TDDFT) framework can be prohibitively costly for large systems. To alleviate this problem, we present here an ECD implementation within the projector augmented-wave method in a real-time-propagation TDDFT framework in the open-source GPAW code. Our implementation supports both local atomic basis sets and real-space finite-difference representations of wave functions. We benchmark our implementation against an existin…
Atomically Precise Alkynyl-Protected Metal Nanoclusters as a Model Catalyst: Observation of Promoting Effect of Surface Ligands on Catalysis by Metal…
2016
Metal nanoclusters whose surface ligands are removable while keeping their metal framework structures intact are an ideal system for investigating the influence of surface ligands on catalysis of metal nanoparticles. We report in this work an intermetallic nanocluster containing 62 metal atoms, Au34Ag28(PhC≡C)34, and its use as a model catalyst to explore the importance of surface ligands in promoting catalysis. As revealed by single-crystal diffraction, the 62 metal atoms in the cluster are arranged as a four-concentric-shell Ag@Au17@Ag27@Au17 structure. All phenylalkynyl (PA) ligands are linearly coordinated to the surface Au atoms with staple "PhC≡C-Au-C≡CPh" motif. Compared with reporte…
Stereoselective syntheses of piperidinones and their modification by organometallic coupling reactions
2007
Dehydropiperidinones stereoselectively obtained from N-arabinosyl imines were iodinated at the enaminone structure. Knochel iodine-magnesium exchange afforded Grignard compounds of these piperidinone derivatives which reacted, either directly or after transmetalation to zinc or copper intermediates, with alkyl-, aryl- or acylhalides to give correspondingly substituted piperidinones. Stereoselective conjugate allyl cuprate addition to a thus obtained 5-allyl dehydropiperidinone and ring-closing metathesis of the product gave a hydroquinolinone containing three stereogenic centers.
Adhesion trends and growth mode of ultra-thin copper films on MgO
2004
Ab initio simulations are performed for Cu atoms adsorbed on the perfect MgO(001) substrate, with an ordered metal coverage varied from 1 monolayer (ML), i.e. almost single atoms, up t o1M L. As trong dependence of the adhesion energy and the sub-monolayer film distance from the substrate on the surface coverage and adsorbate positions (Mg 2+ or O 2− )i s discussed. The nature of interfacial bonding at all coverages is physisorption .W hen increasing Cu atomic fraction, a decrease of the substrate-induced polarization of adatoms accompanied by an increase of both in-plane metallic bonding and the interfacial distance has been found. Combining results of ab initio calculations with thermodyn…
Complexes of organometallic compounds XXVIII. The solution chemistry of bis(acetylacetone)ethylenediimine adducts of organotin(IV) halides
1971
Abstract The nature of methanol solutions of a series of bis(acetylacetone)ethylenediimine adducts of organotin(IV) halides has been studied by electronic and PMR spectroscopy and by osmometry and conductivity. Effectively complete dissociation to the free ligand and solvated organotin(IV) halide moieties is inferred.
Characterization of Pumice-Supported Ag–Pd and Cu–Pd Bimetallic Catalysts by X-Ray Photoelectron Spectroscopy and X-Ray Diffraction
1999
Bimetallic Ag–Pd and Cu–Pd catalysts supported on pumice have been prepared in order to be used in the selective hydrogenation of dienes. The catalysts were obtained by the classical impregnation method and in the case of the Cu–Pd system also by organometallic precursors. They were analysed by X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD). XPS allowed us to determine the surface distribution and chemical state of the two elements; XRD yielded the lattice parameters and allowed us to establish the possible formation of alloys. The two bimetallic systems behave differently. In the case of the Ag-Pd catalysts, Pd particles covered by silver atoms along with highly dispers…
Evidence of intramolecular electron transfer between two metallic atoms in a bimetallic complex by electrochemical methods
2005
The electrochemical properties of the monomeric complex [(η5-C5H5)(μ-η5:η1-C5H4(CH2)2P(C6H5)2TiCl2] 1 and the heterobimetallic complex [(η5-C5H5)(μ-η5:η1-C5H4(CH2)2P(C6H5)2TiCl2][RuCl2(C6H4(CH3)(C3H7))] 2 have been studied by cyclic voltammetry, controlled potential electrolysis and rotating disk electrode voltammetry. An unexpected electron transfer between the two heterobimetallic atoms has been observed. This transfer takes place via an intramolecular interaction, hence via a chloride bridge. Electrochemical simulation has been carried out to verify experimental results and to obtain the kinetic constant of the proposed square scheme.