Search results for "Spectroscopy"

showing 10 items of 10293 documents

Counterion influence on the N–I–N halogen bond

2015

A detailed investigation of the influence of counterions on the [N–I–N]+ halogen bond in solution, in the solid state and in silico is presented. Translational diffusion coefficients indicate close attachment of counterions to the cationic, three-center halogen bond in dichloromethane solution. Isotopic perturbation of equilibrium NMR studies performed on isotopologue mixtures of regioselectively deuterated and nondeuterated analogues of the model system showed that the counterion is incapable of altering the symmetry of the [N–I–N]+ halogen bond. This symmetry remains even in the presence of an unfavorable geometric restraint. A high preference for the symmetric geometry was found also in …

chemistry.chemical_classificationHalogen bond010405 organic chemistryHydrogen bondcounterion; halogen bond; single crystal X-ray diffraction; DFT computationInorganic chemistryGeneral ChemistryNuclear magnetic resonance spectroscopy010402 general chemistry01 natural sciencesN–I–N halogen bond0104 chemical sciencesCrystallographyChemical bondchemistryTransition metalCounterionta116Single crystalBasis setChemical Science
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Chlorine loss from polyvinylchloride under neutron irradiation

1997

PVC samples were irradiated for 1 hour with a thermal neutron flux of Φ th =4.71·1011n·cm−2·s−1 and the chlorine lost during irradiation was measured by γ-ray spectrometry. About 15% of loss of chlorine has been observed for untreated samples while samples heated to temperatures of 60 and 80°C for one minute before irradiation have been found to loose about 8% and 3%, respectively. The results indicate an influence of the polymer structure on the release of chlorine.

chemistry.chemical_classificationHealth Toxicology and MutagenesisRadiochemistryPublic Health Environmental and Occupational Healthchemistry.chemical_elementPolymerMass spectrometryPollutionAnalytical ChemistryThermal neutron fluxNuclear Energy and Engineeringchemistrypolycyclic compoundsChlorineRadiology Nuclear Medicine and imagingIrradiationNeutron irradiationSpectroscopyJournal of Radioanalytical and Nuclear Chemistry
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Structural characterization of frozen n-heptane solutions of metal-containing reverse micelles

2007

The microstructure of temperature-quenched solutions of reverse micelles formed by sodium, cobalt, ytterbium, and cobalt/ytterbium bis(2-ethylhexyl)sulfosuccinate in n-heptane has been investigated by SAXS and EXAFS. Some changes in the X-ray absorption spectra with respect to the same systems at room temperature have been observed. The analysis of the SAXS spectra leads to the hypothesis that at 77 K the closed spherical structure of reverse micelles is retained and that during the temperature quench they undergo a clustering process involving the transition from a quite random dispersion to the formation of more or less large clusters of strongly packed reverse micelles. This behavior is …

chemistry.chemical_classificationHeptaneAbsorption spectroscopyExtended X-ray absorption fine structureSmall-angle X-ray scatteringAnalytical chemistrychemistry.chemical_elementSurfaces and InterfacesCondensed Matter PhysicsMicellechemistry.chemical_compoundColloid and Surface ChemistrychemistryElectrochemistryGeneral Materials ScienceCounterionPhysical and Theoretical ChemistryDispersion (chemistry)CobaltSpectroscopy
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Mössbauer Spectroscopic Study and Magnetic Investigation of Iron(III) Complexes on a DendrimericBasis

2014

The functionalization of the molecular surface of various dendrimer generations with a phosphorous core and external amine groups is obtained by converting those amine groups into the corresponding imines of salicylaldehyde creating multiple coordination sites for the iron atoms. Treatment with iron(III) chloride yields multinuclear iron(III) complexes on a dendrimeric basis.The obtained multinuclear molecular systems exhibit extremely high total spin values. The influence of the generation growth on this type of coordination compounds is investigated by Mossbauer spectroscopy and SQUID magnetometry.

chemistry.chemical_classificationHistoryChemistryInorganic chemistryInfrared spectroscopyChlorideComputer Science ApplicationsEducationCoordination complexCrystallographychemistry.chemical_compoundSalicylaldehydeDendrimerMössbauer spectroscopymedicineSurface modificationAmine gas treatingmedicine.drugJournal of Physics: Conference Series
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Iron(III) Complexes on a Dendrimeric Basis and Various Amine Core Investigated by Mössbauer Spectroscopy

2014

Dendrimers of various generations were synthesized by the divergent method. Starting from various amine cores (G0a, G0b, G0c) the generations were built by reaction of the amine with acrylnitrile followed by hydrogenation with DIBAL-H. Treatment with salicylaldehyde creates a fivefold coordination sphere for iron in the molecular periphery. The resulting multinuclear coordination compounds are investigated by Mossbauer spectroscopy.

chemistry.chemical_classificationHistoryCoordination sphereInorganic chemistryComputer Science ApplicationsEducationCoordination complexchemistry.chemical_compoundchemistrySalicylaldehydeDendrimerMössbauer spectroscopyPolymer chemistryAmine gas treatingJournal of Physics: Conference Series
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Elaboration and characterization of organic/inorganic hybrid nanoporous material incorporating Keggin-type Mo-Si polyanions

2007

A novel nanoporous (pore size of 11 nm in average, BET surface area of 30 m2/g, pore volume of 300 mm3/g) hybrid inorganic-organic material was synthesized using the solid-phase interaction at room temperature of plant-originated phenylpropanoid polymer lignin and a Keggin-type heteropolyanion [SiMo12O40]4-. The partly reduction of Mo(VI) to Mo(V) and complexes formation between lignin and polyanion have been established by EPR, FT-IR and Raman spectroscopy. The XRD pattern and FT-IR spectrum of the hybrid material and indicates that [SiMo12O40]4- anion maintains the Keggin structure.

chemistry.chemical_classificationHistoryMaterials scienceNanoporousInorganic chemistryPolymerComputer Science ApplicationsEducationlaw.inventionchemistry.chemical_compoundsymbols.namesakeKeggin structureChemical engineeringchemistrylawsymbolsLigninElectron paramagnetic resonanceHybrid materialRaman spectroscopyBET theoryJournal of Physics: Conference Series
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Effect of Heating Time and Temperature on the Chemical Characteristics of Biochar from Poultry Manure

2014

Poultry manure (PM) chars were obtained at different temperatures and charring times. Chemical-physical characterization of the different PM chars was conducted by cross-polarization magic angle spinning (CPMAS) (13)C NMR spectroscopy and thermal analysis. CPMAS (13)C NMR spectra showed that the chemical composition of PM char is dependent on production temperature rather than on production duration. Aromatic and alkyl domains in the PM chars obtained at the lowest temperatures remained unchanged at all heating times applied for their production. The PM char obtained at the highest temperature consisted only of aromatic structures having chemical nature that also appeared invariant with hea…

chemistry.chemical_classificationHot TemperatureMagnetic Resonance SpectroscopyTime FactorsSettore AGR/13 - Chimica AgrariaAnalytical chemistryGeneral ChemistryPoultryManureThermogravimetrychar poultry manure CPMAS 13C NMR TGA DTG thermal stabilitychemistryCharcoalSpectroscopy Fourier Transform InfraredBiocharMagic angle spinningAnimalsOrganic chemistryCharringCharGeneral Agricultural and Biological SciencesThermal analysisChemical compositionAlkyl
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Dimethoxy aromatic compounds. IV.—determination of stereochemistry of 2,3,6,7-tetraalkoxy-9,10-dihalomethyl-9,10-dihydroanthracenes by13C NMR chemica…

1987

The analysis of the 13C NMR spectra of several 2,3,6,7-tetraalkoxy-9,10-dihalomethyl-9,10-dihydroanthracenes showed a strong dependence of the chemical shift values on the orientation of the halomethyl groups. On this basis it was possible to determine both the configuration (cis or trans) and conformation of the isomers, even if only one isomer was available.

chemistry.chemical_classificationHydrocarbonChemistryStereochemistryChemical shiftChemical solutionGeneral Materials ScienceGeneral ChemistryNuclear magnetic resonance spectroscopyCarbon-13 NMRMagnetic Resonance in Chemistry
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Effects of isotopic substitution on the conformational properties of polymeric aqueous solutions

2000

Abstract This work deals with a side-by-side comparison between the PEO conformational properties in H 2 O and D 2 O. The gyration radius, evaluated by SANS, the hydrodynamic radius, evaluated by PCS, and the Raman D-LAM band analysis furnish valuable information on the structural arrangement of the molecules. The findings clearly show different behavioural properties of the polymer in H 2 O and D 2 O.

chemistry.chemical_classificationHydrodynamic radiusMaterials scienceRadiusPolymerCondensed Matter PhysicsGyrationSmall-angle neutron scatteringElectronic Optical and Magnetic Materialssymbols.namesakechemistrysymbolsMoleculePhysical chemistryElectrical and Electronic EngineeringRaman spectroscopyRaman scattering
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17O NMR study of isomeric monochloro- and monohydroxy-benzaldehydes and chlorinated salicylaldehydes

1991

The 17O NMR chemical shifts of isomeric monochloro- and monohydroxy-benzaldehydes and chlorinated salicylaldehydes were measured at 40°C for 0.25 M CDCI3 solutions. The 17O NMR chemical shift of the carbonyl oxygen of the compounds studied varies from 506 to 573 ppm measured from external D2O. The observed variation is probably mainly due to the intramolecular hydrogen bonding between the adjacent carbonyl and hydroxyl groups. The 17O NMR chemical shift range of the hydroxyl oxygen is from 80 to 98 ppm.

chemistry.chemical_classificationHydrogen bondChemical shiftchemistry.chemical_elementGeneral ChemistryNuclear magnetic resonance spectroscopyAldehydeMedicinal chemistryOxygenchemistryIntramolecular forceOrganic chemistryChemical solutionGeneral Materials ScienceMagnetic Resonance in Chemistry
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