Search results for " copper"
showing 10 items of 102 documents
A CI study of the CuCO and CuCO+ complexes
1987
MO CI calculations are carried out using an optimal space of valence virtual MOs obtained by means of a projection technique, as a linear combination of the AOs which are more occupied in the molecular Fock space. Localization of the occupied MOs and nonvalence virtual MOs is also achieved. The overall procedure is proven to be quite advantageous and well suited to obtain potential energy curves which keep the same physical meaning along the range of distances studied. Using a slightly better than double‐zeta quality basis set, a valence CAS‐CI, and selected CI wave function by the CIPSI algorithm have revealed a possible weak van der Waals interaction for the 2Σ+ state of CuCO, which remai…
Ecological risks of an old wood impregnation mill: application of the triad approach.
2010
Although many studies deal with the distribution and mobility of chromated copper arsenate (CCA) metals in soil, the ecotoxicity of CCA-contaminated soils is rarely studied. The Triad approach was applied to determine the ecological risks posed by a CCA mixture at a decommissioned wood impregnation mill in southern Finland. A combination of (1) chemical analyses; (2) toxicity tests with plants (aquatic: Lemna minor; terrestrial: Lactuca sativa), earthworms (Lumbricus rubellus), and enchytraeids (Enchytraeus albidus) conducted on contaminated soils, their aqueous extracts, and well water collected from the site; and (3) determination of the abundance of enchytraeids and nematodes and the bio…
Laser spectroscopy of gallium isotopes beyond N = 50
2012
The installation of an ion-beam cooler-buncher at the ISOLDE, CERN facility has provided increased sensitivity for collinear laser spectroscopy experiments. A migration of single-particle states in gallium and in copper isotopes has been investigated through extensive measurements of ground state and isomeric state hyperfine structures. Lying beyond the N = 50 shell closure, 82Ga is the most exotic nucleus in the region to have been studied by optical methods, and is reported here for the first time. ispartof: pages:012071-6 ispartof: Journal of Physics: Conference Series vol:381 issue:1 pages:012071-6 ispartof: Rutherford Centennial Conference on Nuclear Physics location:Manchester, UK dat…
Metal complex-DNA binding: Insights from molecular dynamics and DFT/MM calculations.
2012
Molecular dynamics (MD) simulations, followed by density functional theory/molecular mechanics (DFT/MM) calculations, provided a detailed structure of the binding site between the cationic metallointercalator (dipyrido [3,2-a:2',3'-c]phenazine)(glycinato)copper(II), [Cu(gly)(dppz)](+), and the two dodeca-deoxynucleotide duplexes [dodeca(dG-dC)]2 and [dodeca(dA-dT)]2. Three simultaneous DNA binding types were detected in the fully optimized DFT/MM structures: 1) metal coordination through exocyclic oxygen atoms of nitrogen bases; 2) intercalation of the dppz chromophore between stacked Watson-Crick AT-AT and GC-GC bases; and 3) hydrogen bonding between the glycinato ligand and amine groups o…
The key role of hydrogen bonding in the nuclearity of three copper(II) complexes with hydrazone-derived ligands and nitrogen donor heterocycles
2011
International audience; Three new Cu(II) complexes of formula [Cu(L1)(pyz)(CH3OH)]ClO4 (1), [Cu(L1)(4,4′-bpy)(ClO4)]·0.5H2O (2) and [{Cu(L2)(ClO4)}2(μ-4,4′-bpy)] (3) have been synthesised by using pyrazine (pyz) and 4,4′-bipyridine (4,4′-bpy) and tridentate O,N,O-donor hydrazone ligands, L1H and L2H, obtained by the condensation of 1,1,1-trifluoro-2,4-pentanedione with salicyloylhydrazide and benzhydrazide, respectively. The ligands and their complexes have been characterized by elemental analyses, FT-IR, and UV–Vis spectroscopies. Single crystal X-ray structure analysis evidences the metal ion in a slightly deformed square pyramidal geometry in all the complexes. However complexes 1 and 2 …
Environmental impact of antifouling technologies: state of art and perspectives
2001
1. Marine fouling affects most man-made surfaces temporarily or permanently immersed in the sea, resulting in significant (or substantial) economic costs. Intense research is aimed at preventing or reducing fouling. 2. The most widespread solution to avoid fouling formation is to make surfaces unsuitable for settlers, coating them with antifouling (AF) paints containing toxic compounds. Most AF agents (e.g. tributyltin, (TBT)) have undesirable effects on non-target species, including commercially important organisms. 3. To date, the use of TBT in AF paints has been restricted (but not prohibited) in a number of countries and new biocides are in use. 4. The environmental problems posed to ma…
Novel mixed-valence Cu compounds formed by Cu(II) dimers with double oximato bridges: in situ formation of anionic layer [Cu2(SCN)3]n(n-).
2013
Two new N3O donor ketoxime Schiff bases (HL(1) and HL(2)) have been synthesized by condensing N,N-dimethylethylenediamine with diacetylmonoxime and benzilmonoxime, respectively in a 1:1 ratio. Reaction of Cu(ClO4)2·6H2O with HL(1) resulted in a discrete oximato-bridged dinuclear Cu(II) complex [Cu2(L(1))2(H2O)2](ClO4)2 (1). The same reaction in presence of NaSCN affords the complex {[Cu(II)2(L(1))2][Cu(I)4(μ(1,3)-SCN)4(μ(1,1,3)-SCN)2]}n (2), where partial Cu(II)→Cu(I) reduction is observed. In 2, arrays of [Cu(II)2(L(1))2](2+) cationic units are inserted in between 2D {[Cu(I)4(SCN)6](2-)}n layers and connected via μ(1,1,3)-SCN(-) links, thus forming a 3D network. On the other hand, reaction…
Analysis of socio-economic impact of Konkola Copper Mine (KCM) on the mining community in Zambia : a case study of Chingola Town
2008
This thesis focuses on the impact of Konkola Copper Mine (KCM). This company is a Multinational Mining Corporation. It is based in Chingola town in Zambia. The study seeks to establish whether the Mining company is contributing to the development of the town or not. It also examines the development agreements which the company entered into with government and show how this commitment has affected the company’s contributions to the local community. Specifically, the study seeks to critically examine the development agreements with a view to establishing whether these agreements emphasized strict observance of corporate social responsibilities or not The methodological approach used in this s…
Facilitated transport of diuron and glyphosate in high copper vineyard soils.
2007
6 pages; International audience; The fate of organic herbicides applied to agricultural fields may be affected by other soil amendments, such as copper applied as a fungicide. The effect of copper on the leaching of diuron and glyphosate through a granitic and a calcareous soil was studied in the laboratory using sieved-soil columns. Each soil was enriched with copper sulfate to obtain soil copper concentrations of 125, 250, 500, and 1000 mg kg(-1). Glyphosate leaching was influenced by soil pH and copper concentration, whereas diuron leaching was not. In the calcareous soil, glyphosate leaching decreased as copper levels increased from 17 mg kg(-1) (background) to 500 mg kg(-1). In the gra…
Magnetic exchange interactions in the heteropoly complexes [M4(H2O)2(PW9O34)2]10− [M=Co(II) and Cu(II)]
1990
The magnetic properties of the heteropolyanions [M4(H2O)2(PW9O34)2]10− [M=Co(II) and Cu(II)] down to 4 K are reported. Their individual heteropoly molecules contain a rhomblike arrangement formed by four coplanar MO6 octahedra sharing edges. The magnetic properties support an intramolecular ferromagnetic exchange in the Co(II) tetramer, and antiferromagnetic exchange in the Cu(II) tetramer. These behaviors are discussed assuming anisotropic exchange in the Co(II) compound, and Heisenberg exchange in the Cu(II) compound. Carlos.Gomez@uv.es