Search results for "SULFUR"

showing 10 items of 545 documents

Unveiling the Sulfur–Sulfur Bridge: Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond

2018

open 12 si MIUR “PRIN 2015” funds (Grant Number 2015F59J3R) By combining rotational spectroscopy in supersonic expansion with the capability of state-of-the-art quantum-chemical computations in accurately determining structural and energetic properties, the genuine nature of a sulfur–sulfur chalcogen bond between dimethyl sulfide and sulfur dioxide has been unveiled in a gas-jet environment free from collision, solvent and matrix perturbations. A SAPT analysis pointed out that electrostatic S⋅⋅⋅S interactions play the dominant role in determining the stability of the complex, largely overcoming dispersion and C−H⋅⋅⋅O hydrogen-bond contributions. Indeed, in agreement with the analysis of the…

Materials sciencechemistry.chemical_element02 engineering and technologybond analysi010402 general chemistry01 natural sciencesQuantum chemistryCatalysisCatalysibond analysisquantum chemistrysymbols.namesakeChalcogenrotational spectroscopyVan der Waals radiusPhysics::Chemical PhysicsAstrophysics::Galaxy Astrophysicsbond analysis; energy and charge decomposition models; quantum chemistry; rotational spectroscopy; semi-experimental equilibrium structure; Catalysis; Chemistry (all)energy and charge decomposition model010405 organic chemistryIntermolecular forceChemistry (all)General MedicineGeneral Chemistryenergy and charge decomposition modelssemi-experimental equilibrium structure021001 nanoscience & nanotechnologySulfur0104 chemical scienceschemistryChemical physicssymbolsRotational spectroscopy0210 nano-technologyDispersion (chemistry)Natural bond orbital
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Selenium adsorption on Mo(110): A first-principles investigation

2013

Selenium adsorption on molybdenum surfaces is a relevant process in the production of thin-film solar cells, in particular as far as the formation of the layered compound MoSe${}_{2}$ is concerned. In this paper we investigate the energetics of Se adsorption on the (110) surface of molybdenum using first-principles calculations in the two limiting cases of low and high coverage, and we establish a comparison with the more extensively investigated case of sulfur adsorption at submonolayer coverage. The studied system provides the opportunity for testing the most crucial approximations, namely, the choice of the exchange-correlation functional and the pseudopotential generation. We find that …

Materials sciencechemistry.chemical_elementThermodynamicsLimitingCondensed Matter PhysicsHigh coverageSulfurElectronic Optical and Magnetic MaterialsPseudopotentialAdsorptionchemistryMolybdenumAdsorption energySeleniumPhysical Review B
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The growth of “black crusts” on calcareous building stones in Palermo (Sicily): a first appraisal of anthropogenic and natural sulphur sources

2008

Chemical, mineralogical and isotopic composition (34S/32S) analyses were carried out on “black crusts” developed on the old buildings of Palermo (Sicily) with the aim to distinguish between natural and anthropogenic sulphur sources. Furthermore individual samples of total suspended particulate (TSP) were collected and analysed in order to estimate the influence of air pollution on the decay process of calcareous stones in a typical southern Mediterranean coastal environment. SEM/EDS analysis, X-ray diffractometry, IR spectroscopy and liquid chromatography led to the compositional characterization of “black crusts” and airborne particulate matter in the city. Sulphur isotopic compositions of…

Mediterranean climateSicily Black crusts Total suspended particulate (TSP) Isotopic composition of sulphur Decay process of calcareous building stoneEarth scienceGeneral EngineeringAir pollutionchemistry.chemical_elementParticulatesmedicine.disease_causeSulfurNatural (archaeology)chemistryEnvironmental chemistryEarth and Planetary Sciences (miscellaneous)medicineGeneral Earth and Planetary SciencesEnvironmental ChemistryEnvironmental scienceCalcareousUrban environmentGeneral Environmental ScienceWater Science and TechnologyRate of growthEnvironmental Geology
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In situ evidence for an ancient aqueous environment at Meridiani Planum, Mars.

2004

Sedimentary rocks at Eagle crater in Meridiani Planum are composed of fine-grained siliciclastic materials derived from weathering of basaltic rocks, sulfate minerals (including magnesium sulfate and jarosite) that constitute several tens of percent of the rock by weight, and hematite. Cross-stratification observed in rock outcrops indicates eolian and aqueous transport. Diagenetic features include hematite-rich concretions and crystal-mold vugs. We interpret the rocks to be a mixture of chemical and siliciclastic sediments with a complex diagenetic history. The environmental conditions that they record include episodic inundation by shallow surface water, evaporation, and desiccation. The …

Meridiani PlanumGeologic SedimentsExtraterrestrial EnvironmentGeochemistryMineralogyMarsWeatheringengineering.materialFerric CompoundsLifeConcretionExobiologyComposition of MarsSpacecraftgeographyMineralsMultidisciplinarygeography.geographical_feature_categorySulfatesSilicatesSpectrum AnalysisWaterDiagenesisVolcanic rockengineeringSedimentary rockSiliciclasticGeologySulfurScience (New York, N.Y.)
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Chemical and electrochemical behaviour of 4,4’,4’’,4’’’-tetrakis(dimethylamino)-tetraphenylethylene in an oxidant environment: Toward a new sensor fo…

2020

Abstract Electrochromic compounds are suitable candidates for being used in sensor design. Here we report the use of 4,4’,4’’,4’’’-tetrakis(dimethylamino)-tetraphenylethylene for detecting both NO2 and SO2. Whereas the sensing mechanism in the case of nitrogen dioxide is a simple chemical oxidation reaction, in the case of sulfur dioxide, the mechanism is much more complex and the reaction requires the presence of t-butylhydroperoxide to take place. By modifying the detection conditions both compounds can be detected in gas phase. Additionally, a wide electrochemical study has been carried out to understand the role played by the t-butylhydroperoxide in the reaction with sulfur dioxide.

Metals and Alloys02 engineering and technologyTetraphenylethylene010402 general chemistry021001 nanoscience & nanotechnologyCondensed Matter PhysicsPhotochemistryElectrochemistry01 natural sciencesRedox0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsGas phasechemistry.chemical_compoundchemistryElectrochromismMaterials ChemistryNitrogen dioxideElectrical and Electronic Engineering0210 nano-technologyInstrumentationSulfur dioxideSensors and Actuators B: Chemical
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A post-synthetic approach triggers selective and reversible sulphur dioxide adsorption on a metal-organic framework.

2018

We report the application of a post-synthetic solid-state cation-exchange process to afford a novel 3D MOF with hydrated barium cations hosted at pores able to trigger selective and reversible SO2 adsorption. Computational modelling supports the full reversibility of the adsorption process on the basis of weak supramolecular interactions between SO2 and coordinated water molecules.

Metals and AlloysSupramolecular chemistrychemistry.chemical_elementBarium02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnologycomplex mixtures01 natural sciencesSulfurCatalysis0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsAdsorptionchemistryChemical engineeringScientific methodMaterials ChemistryCeramics and CompositesMolecule0210 nano-technologyChemical communications (Cambridge, England)
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The summertime Boreal forest field measurement intensive (HUMPPA-COPEC-2010): an overview of meteorological and chemical influences

2011

This paper describes the background, instrumentation, goals, and the regional influences on the HUMPPACOPEC intensive field measurement campaign, conducted at the Boreal forest research station SMEAR II (Station for Measuring Ecosystem-Atmosphere Relation) in Hyyti¨al¨a, Finland from 12 July–12 August 2010. The prevailing meteorological conditions during the campaign are examined and contrasted with those of the past six years. Back trajectory analyses show that meteorological conditions at the site in 2010 were characterized by a higher proportion of southerly flow than in the other years studied. As a result the summer of 2010 was anomalously warm and high in ozone making the campaign rel…

Meteorologie en Luchtkwaliteitacid-water nucleationscots pineWIMEKMeteorology and Air Qualityatmospheric particlesboundary-layervolatile organic-compoundsEarth System Sciencegas chromatography/mass spectrometrytropical rain-forestsulfuric-acidphase microextractionLeerstoelgroep Aardsysteemkundenatural aerosol
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Zeeman effect in sulfur monoxide: A tool to probe magnetic fields in star forming regions

2017

[Context] Magnetic fields play a fundamental role in star formation processes and the best method to evaluate their intensity is to measure the Zeeman effect of atomic and molecular lines. However, a direct measurement of the Zeeman spectral pattern from interstellar molecular species is challenging due to the high sensitivity and high spectral resolution required. So far, the Zeeman effect has been detected unambiguously in star forming regions for very few non-masing species, such as OH and CN.

Methods: laboratory: molecularlaboratory: molecular [Methods]Context (language use)ISM: moleculeRadiation01 natural sciences7. Clean energyArticlesymbols.namesakechemistry.chemical_compoundMethods: data analysis0103 physical sciencesAstrophysics::Solar and Stellar AstrophysicsPhysics::Atomic PhysicsSpectral resolutiondata analysis [Methods]010303 astronomy & astrophysicsmolecules [ISM]Astrophysics::Galaxy AstrophysicsCondensed Matter::Quantum GasesPhysicsZeeman effectSulfur monoxide010304 chemical physicsSpectrometerStar formationMolecular dataAstronomy and AstrophysicsAstronomy and AstrophysicISM: moleculesMagnetic fieldMagnetic fieldchemistrySpace and Planetary ScienceMagnetic fieldssymbolsAtomic physicsMethods: data analysi
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Abatement of AO7 in a divided microbial fuel cells by sequential cathodic and anodic treatment powered by different microorganisms

2017

Abstract Microbial fuel cells (MFCs) can allow the treatment of organic pollutants resistant to conventional biological processes by electro-Fenton (EF) process performed in the cathodic compartment. However, EF usually results in a partial mineralization of pollutants. Here, we have studied the possible treatment of such organics in a MFC by a sequential cathodic and anodic treatment. In particular, the treatment of an aqueous solution of Acid Orange (AO7), a largely used azoic dye resistant to conventional biological processes, was performed in the cathodic compartment of a divided MFC by EF. The process allowed the total removal of the color and the partial removal of the TOC, due mainly…

Microbial fuel cellAO7MFCGeneral Chemical EngineeringMicroorganism02 engineering and technology010501 environmental sciencesShewanella putrefaciensSettore BIO/19 - Microbiologia Generale01 natural sciencesAnalytical ChemistryCathodic protectionElectrochemistryChemical Engineering (all)Shewanella putrefacienSequential cathodic and anodic treatmentEffluentGeobacter sulfurreducens0105 earth and related environmental sciencesPollutantAqueous solutionbiologyChemistrySettore ING-IND/27 - Chimica Industriale E Tecnologica021001 nanoscience & nanotechnologybiology.organism_classificationEnvironmental chemistryGeobacter sulfurreducenInsect gut microbiota0210 nano-technologyJournal of Electroanalytical Chemistry
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Effect of sludge age on microbial consortia developed in MFCs

2017

BACKGROUND This work is focused on the assessment of the performance of mini-scale air-breathing microbial fuel cells (MFCs), by monitoring the evolution of the bio-electrogenic activity for a period of 40 days and by comparing the microorganisms populations developed in each of the MFC after this period. RESULTS Five MFCs were operated at sludge ages ranging from 1.4 to 10.0 days. Results showed the superb performance of the MFC operating under a sludge age of 2.5 days. Desulfuromonas, Syntrophothermus, Solitalea, Acholeplasma, Propionicimonas, Desulfobacula and Sphaerochaeta are proposed as potential responsible for the bio-electrogenic activity. CONCLUSIONS Microbial population analysis …

Microbial fuel cellGeneral Chemical EngineeringMicroorganismPopulation02 engineering and technology010501 environmental sciencesDesulfuromonas01 natural sciencesInorganic ChemistryDesulfobaculaMixed cultureFood scienceeducationWaste Management and Disposal0105 earth and related environmental scienceseducation.field_of_studybiologyRenewable Energy Sustainability and the EnvironmentChemistryOrganic ChemistryBiofilm021001 nanoscience & nanotechnologybiology.organism_classificationPollutionAcholeplasmaFuel Technology0210 nano-technologyBiotechnologyJournal of Chemical Technology & Biotechnology
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