Search results for "DEP"

showing 10 items of 10555 documents

Iron( ii ) and cobalt( ii ) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations

2018

A series of low-spin FeII and CoII complexes based on phenanthroline-imidazolate (PIMP) ligands are reported. The FeII complex (H9O4)[Fe(PIMP)3]·(C4H10O)2(H2O) (1a) shows reversible crystalline phase transformations to afford two new phases (H9O4)[Fe(PIMP)3]·(H2O) (1b) and (H9O4)[Fe(PIMP)3]·(C8H18O)(C4H10O)(H2O) (1c) by release of diethyl ether and absorption of diethyl/dibutyl ether, respectively. This reversible uptake/release of solvent molecules is a clear example of single-crystal-to-single-crystal transformation involving a discrete metal complex. On the other hand, the corresponding CoII complex (H9O4)[Co(PIMP)3]·(C4H10O)2(H2O)2 (2) does not exhibit similar phase transformations. In …

010405 organic chemistryPhenanthrolinechemistry.chemical_elementGeneral Chemistry010402 general chemistryCondensed Matter Physics01 natural sciences3. Good health0104 chemical sciencesSolventDibutyl etherMetalchemistry.chemical_compoundCrystallographyDeprotonationchemistryvisual_artImidazolatevisual_art.visual_art_medium[CHIM]Chemical SciencesGeneral Materials Science[CHIM.COOR]Chemical Sciences/Coordination chemistryDiethyl etherCobaltComputingMilieux_MISCELLANEOUS
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The [Pd(bipy)]2+ “merry-go-round”: Insights into the lability of the Pd–N bond

2009

Abstract Two tripods (1 and 2) featuring pyrimidinyl pendant arms have been synthesized from 5-(1H-pyrazol-3-yl)-pyrimidine (5) and 1,3,5-tribromomethylbenzene derivatives. Reaction with three equivalents of [Pd(bipy)](NO3)2 to form a macrotricycle closed by palladium coordination unexpectedly afforded the mononuclear species [Pd(1)(bipy)]2+ and [Pd(2)(bipy)]2+. These complexes show fluxional behavior on the 1H NMR timescale, the [Pd(bipy)]2+ fragment hopping between the pyrimidinyl coordinating moieties. The ΔGc‡’s estimated by the coalescence method are temperature independent, which means that ΔSc‡ = 0. This indicates that the “merry-go-round” process of [Pd(bipy)]2+ occurs intramolecula…

010405 organic chemistryStereochemistryChemistryLabilityGeneral Chemical Engineeringfluxionality[ CHIM.COOR ] Chemical Sciences/Coordination chemistryTemperature independentchemistry.chemical_elementGeneral Chemistry010402 general chemistrypalladium01 natural sciencesMedicinal chemistry0104 chemical scienceschelatesN ligandsNucleophileProton NMRChelation[CHIM.COOR]Chemical Sciences/Coordination chemistryComputingMilieux_MISCELLANEOUStripodal ligandsPalladium
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Structural and metallo selectivity in the assembly of [2 × 2] grid-type metallosupramolecular species: Mechanisms and kinetic control

2011

An unsymmetrical bis(tridentate) ligand LH in which one binding site can be readily deprotonated forms a kinetically inert [Co(III)L(2)](+) complex which can be used as a "corner" species for the "Coupe du Roi" assembly of trans,trans-[Co(2)M(2)L(4)](6+) metallogrids (M = Fe(II), Co(II), Cu(II), Zn(II)). In the mixed Co(III)/Co(II) species, the oxidation states appear to be localised. In solution, the ligand LH forms octacationic, homometallic [2 × 2] grids with the individual labile metal ions Fe(II), Co(II), Cu(II), Zn(II), seemingly as mixtures of all possible isomers arising from the unsymmetrical nature of the ligand. In the solid state, however, [Zn(4)L(4)](CF(3)SO(3))(8)·4CH(3)CN cry…

010405 organic chemistryStereochemistryChemistryLigandMetal ions in aqueous solutionCrystal structure010402 general chemistry01 natural sciencesKinetic control0104 chemical sciencesInorganic ChemistryCrystallographyDeprotonation[CHIM]Chemical SciencesStereoselectivitySelectivityta116TrifluoromethanesulfonateComputingMilieux_MISCELLANEOUS
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A two-dimensional coordination polymer constructed from binuclear copper(II) metalloligands and manganese(II) ions: Synthesis, crystal structure and …

2016

Abstract The self-assembly process between the binuclear [Cu2(HL)(L)]− complex and the manganese(II) ion affords a two-dimensional coordination polymer of formula [Mn{Cu2(HL)(L)}2(H2O)2]n (1) (H3L = 3-hydroxyiminomethylsalicylic acid) where parallel ladder-like motifs of defective double cubanes of bis(phenoxo)dicopper(II) units as rods and anti-syn carboxylato bridges as rungs act as ligands towards tetraaqua-manganese(II) entities through the deprotonated oxime groups. The topology of 1 is compared with the one of another compound, [Mn{Cu2(HL)(L)}2(H2O)4]·4H2O·2DMF (1′) which was obtained in different conditions by Okawa et al. (J. Chem. Soc., Dalton Trans. (2001) 3119). Magnetic suscepti…

010405 organic chemistryStereochemistryCoordination polymerchemistry.chemical_elementCrystal structureManganese010402 general chemistryOxime01 natural sciencesMagnetic susceptibilityCopper0104 chemical sciencesIonInorganic Chemistrychemistry.chemical_compoundCrystallographyDeprotonationchemistryMaterials ChemistryPhysical and Theoretical ChemistryInorganica Chimica Acta
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Nonanuclear Spin-Crossover Complex Containing Iron(II) and Iron(III) Based on a 2,6-Bis(pyrazol-1-yl)pyridine Ligand Functionalized with a Carboxylat…

2016

The synthesis and magnetostructural characterization of [Fe(III)3(μ3-O)(H2O)3[Fe(II)(bppCOOH)(bppCOO)]6](ClO4)13·(CH3)2CO)6·(solvate) (2) are reported. This compound is obtained as a secondary product during synthesis of the mononuclear complex [Fe(II)(bppCOOH)2](ClO4)2 (1). The single-crystal X-ray diffraction structure of 2 shows that it contains the nonanuclear cluster of the formula [Fe(III)3(μ3-O)(H2O)3[Fe(II)(bppCOOH)(bppCOO)]6](13+), which is formed by a central Fe(III)3O core coordinated to six partially deprotonated [Fe(II)(bppCOOH)(bppCOO)](+) complexes. Raman spectroscopy studies on single crystals of 1 and 2 have been performed to elucidate the spin and oxidation states of iron …

010405 organic chemistryStereochemistryTrimer010402 general chemistry01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundsymbols.namesakeCrystallographyDeprotonationchemistrySpin crossoverCluster (physics)symbolsAntiferromagnetismCarboxylatePhysical and Theoretical ChemistrySpin (physics)Raman spectroscopyInorganic chemistry
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Lidar sounding of volcanic plumes

2013

ABSTRACT Accurate knowledge of gas composition in volcanic plumes has high scientific and societal value. On the one hand, it gives information on the geophysical processes taking place inside volcanos; on the other hand, it provides alert on possible eruptions. For this reasons, it has been suggested to monitor volcanic plumes by lidar. In particular, one of the aims of the FP7 ERC project BRIDGE is the measurement of CO 2 concentration in volcanic gases by differential absorption lidar. This is a very challenging task due to the harsh environment, the narrowness and weakness of the CO 2 absorption lines and the difficulty to procure a suitable laser source. This paper, after a review on r…

010504 meteorology & atmospheric sciencesAerosol load01 natural sciencesVolcanic plume010309 opticsVolcanic Gases0103 physical scienceseventGas compositionAbsorption (electromagnetic radiation)Water vapor0105 earth and related environmental sciencesRemote sensingevent.disaster_typeLidargeographygeography.geographical_feature_categoryAerosolDepth soundingLidarCarbon dioxideVolcano13. Climate actionAerosol load; Carbon dioxide; Differential absorption; Lidar; Volcanic plumes; Water vaporDifferential absorptionWater vaporGeologyLidar Technologies, Techniques, and Measurements for Atmospheric Remote Sensing IX
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Developing an indicator-modelling approach to forecast changes in nitrogen critical load exceedance across Europe arising from agricultural reform

2011

International audience; Atmospheric nitrogen (N) deposition above the critical load causes eutrophication with adverse impacts on biodiversity. Average Accumulated critical load Exceedance (AAE) is a measure of the amount of critical load exceedance and the area of habitat which is affected, and has been adopted in Europe as a pressure indicator for biodiversity. In Europe, AAE is calculated by the Coordination Centre for Effects (CCE) of the United Nations Economic Commission for Europe based on modelled nitrogen deposition and country-level reporting of critical load thresholds and ecosystem area. Due to differences in country-level reporting, AAE values for semi-natural habitats may show…

010504 meteorology & atmospheric sciencesBiodiversityGeneral Decision Sciences010501 environmental sciences01 natural sciencesAMMONIA EMISSIONEnvironmental protectionEcosystemEcology Evolution Behavior and Systematics0105 earth and related environmental sciences2. Zero hungerCritical loadNITROGEN DEPOSITIONEcologyEMISSION D'AMONIAQUEbusiness.industry15. Life on landDeposition (aerosol physics)Habitat13. Climate actionAgricultureEUTROPHICATIONSpatial ecologyEnvironmental scienceBIODIVERSITYCAP REFORM[SDE.BE]Environmental Sciences/Biodiversity and EcologyEutrophicationbusiness
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Smap-based retrieval of vegetation opacity and albedo

2020

Over land the vegetation canopy affects the microwave brightness temperature by emission, scattering and attenuation of surface soil emission. The questions addressed in this study are: 1) what is the transparency of the vegetation canopy for different biomes around the Globe at the low-frequency L-band?, 2) what is the seasonal amplitude of vegetation microwave optical depth for different biomes?, 3) what is the effective scattering at this frequency for different vegetation types?, 4) what is the impact of imprecise characterization of vegetation microwave properties on retrieval of soil surface conditions? These questions are addressed based on the recently completed one full annual cycl…

010504 meteorology & atmospheric sciencesBiome0211 other engineering and technologiesFOS: Physical sciences02 engineering and technology15. Life on landAlbedoAnnual cycle01 natural sciencesGeophysics (physics.geo-ph)Physics - GeophysicsMicrowave imaging13. Climate actionBrightness temperaturemedicineEnvironmental sciencemedicine.symptomVegetation (pathology)Water contentOptical depth021101 geological & geomatics engineering0105 earth and related environmental sciencesRemote sensing2017 IEEE International Geoscience and Remote Sensing Symposium (IGARSS)
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Anticipating the impact of pitfalls in kinetic biodegradation parameter estimation from substrate depletion curves of organic pollutants

2019

[EN] Accurate and reliable estimation of kinetic parameters of pollutant biodegradation processes is essential for environmental and health risk assessment. Common biodegradation models proposed in the literature, such as the nonlinear Monod equation and its simplified versions (e.g. Michaelis-Menten-like and first-order equations), are problematic in terms of accuracy of kinetic parameters due to the parameter correlation. However, a comparison between these models in terms of accuracy and reliability, related to data imprecision, has not been performed in the literature. This task is necessary, mainly because the model selection cannot be straightforward, as shown in this work. To facilit…

010504 meteorology & atmospheric sciencesComputer scienceHealth Toxicology and Mutagenesis010501 environmental sciencesToxicology01 natural sciencesRisk AssessmentModelling depletion curveMonod equationLimit (mathematics)Reliability (statistics)0105 earth and related environmental sciencesPollutantObservational errorEstimation theoryModel selectionReproducibility of ResultsModel comparisonGeneral MedicineModels TheoreticalPollutionNonlinear systemKineticsBiodegradation EnvironmentalParameter estimationsBiodegradationEnvironmental PollutantsBiochemical engineeringPitfallsAlgorithms
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Dukono, the predominant source of volcanic degassing in Indonesia, sustained by a depleted Indian-MORB

2017

Co-auteur étranger; International audience; Located on Halmahera island, Dukono is among the least known volcanoes in Indonesia. A compilation of the rare available reports indicates that this remote and hardly accessible volcano has been regularly in eruption since 1933, and has undergone nearly continuous eruptive manifestation over the last decade. The first study of its gas emissions, presented in this work, highlights a huge magmatic volatile contribution into the atmosphere, with an estimated annual output of about 290 kt of SO2, 5000 kt of H2O, 88 kt of CO2, 5 kt of H2S and 7 kt of H2. Assuming these figures are representative of the long-term continuous eruptive activity, then Dukon…

010504 meteorology & atmospheric sciencesDepleted mantle sourceLavaEarth sciencedegassing budget[ SDU.STU.VO ] Sciences of the Universe [physics]/Earth Sciences/Volcanology010502 geochemistry & geophysics01 natural sciencesMantle (geology)Geochemistry and Petrology[SDU.STU.GC]Sciences of the Universe [physics]/Earth Sciences/Geochemistryevolution[SDU.STU.VO]Sciences of the Universe [physics]/Earth Sciences/VolcanologyDukono VolcanoSedimentologyComputingMilieux_MISCELLANEOUSMagma source0105 earth and related environmental sciencesDukono volcanogeographygeography.geographical_feature_categorySubductionGas emissionsmagma source evolution[ SDU.STU.GC ] Sciences of the Universe [physics]/Earth Sciences/GeochemistryVolcanodepleted mantle sourceDegassing budget13. Climate actionGeology
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