Search results for "Chloride"

showing 10 items of 1691 documents

Crystal structure of bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ2N2,N3]bis(thiocyanato-κS)copper(II)

2016

The structure of the title compound is similar to that of the related complexes [Co(C12H8N4S)2(N3)2] and [Ni(C12H8N4S)2(N3)2] in which the azide ion is substituted by the thio­cyanate group. The CuN4S2 octa­hedron is more distorted than the CoN6 and NiN6 octa­hedra.

crystal structureStereochemistrychemistry.chemical_elementThio-Crystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesChlorideResearch CommunicationsMetalchemistry.chemical_compoundmedicine25-bis(pyridin-2-yl)-134-thiadiazoleGeneral Materials Sciencecopper complexCoordination geometrythio­cyanate ligandCrystallographyHydrogen bondGeneral Chemistrythiocyanate ligandCondensed Matter PhysicsCopper0104 chemical sciencesCrystallographychemistryQD901-999visual_artvisual_art.visual_art_mediumDiazole25-bis­(pyridin-2-yl)-134-thia­diazolemedicine.drugActa Crystallographica Section E Crystallographic Communications
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Crystal structure of cis-bis­(μ-β-alanine-κ2 O:O′)bis[tri­chlorido­rhenium(III)](Re–Re) sesquihydrate

2015

A dirhenium(III) cis-di­carboxyl­ate complex is reported, which is representative of a small class of zwitterionic ammonia­carboxyl­ato complexes involving a quadruple metal–metal bond.

crystal structurechemistry.chemical_elementCrystal structurerheniumChlorideIonResearch CommunicationsCrystallcsh:Chemistryquadruple metal–metal bondmedicineMoleculeGeneral Materials ScienceclusterAlanineLigandGeneral ChemistryRheniumCondensed Matter PhysicsCrystallographychemistrylcsh:QD1-999β-alaninezwitterionic ammonia­carboxyl­ato complexzwitterionic ammoniacarboxylato complexmedicine.drugActa Crystallographica Section E: Crystallographic Communications
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Crystal structure of di-μ-isobutyrato-κ(4) O:O'-bis-[cis-di-chlorido-(dimethyl sulfoxide-κS)rhenium(III)].

2015

A binuclear bis­(carboxyl­ato)dirhenium(III) complex is reported. The compound is a representative of a small class of alkyl­carboxyl­ate complexes involving a quadruple metal–metal bonds

crystal structurechemistry.chemical_elementNanotechnologyCrystal structureChlorideIonResearch CommunicationsCrystalchemistry.chemical_compoundquadruple metal–metal bondalkylcarboxylate complexmedicineCluster (physics)General Materials ScienceclusterCrystallographyDimethyl sulfoxideHydrogen bondGeneral ChemistryRheniumCondensed Matter Physicshydrogen bondingrhenium(III)CrystallographychemistryQD901-999alkyl­carboxyl­ate complexmedicine.drugActa crystallographica. Section E, Crystallographic communications
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Structure and phase transitions in ethylenediammonium dichloride and its salts with antimony trichloride

2000

During the mixing of ethylenediammonium dichloride and antimony trichloride except of reported earlier [NH3(CH2)2NH3]5(Sb2Cl11)2 · 4 H2O a new salt [NH3(CH2)2NH3](SbCl4)2 was obtained. The crystals are monoclinic at 295 K, space group C2/m, a = 13.829(3), b = 7.408(1), c = 7.588(2) Å; β = 103.18(3)°; V = 756.9(3) Å3; Z = 2; dc = 2.585, dm = 2.56(2) g · cm–3. The structure consists of anionic sublattice built of Sb2Cl82– units composed of two SbCl52– square pyramids connected by edge. The ethylenediammonium cations are located in anionic cavities. The cations are disordered. Each methylene carbon atom is split between two positions. The X‐ray diffraction, DSC, TGA and dilatometric methods we…

crystal structuresantimonyethylenediammonium dichloridephase transitionsZeitschrift für Anorganische und Allgemeine Chemie (ZAAC)
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Liquid structure of a choline chloride-water natural deep eutectic solvent: A molecular dynamics characterization

2021

The liquid structure of a representative of the first water-in-salt (WiS) Natural Deep Eutectic Solvents (NADES), hereinafter indicated as aquoline, a mixture of choline chloride (ChCl) and water with molar ratio 1:3.33, is ex- plored at ambient conditions. Using Molecular Dynamics (MD) simulation tools, we extract structural informa- tion at atomistic level on the nature of inter-correlations between the different moieties. Despite being a very fluid liquid, with much lower viscosity than other common ChCl-based DES, aquoline turns out to be very struc- tured. Computed X-ray and neutron weighted scattering patterns (the latter also on selectively deuterated mix- tures) highlight the existe…

deep eutectic solvent02 engineering and technology010402 general chemistry01 natural sciencesChloridechemistry.chemical_compoundMolecular dynamicsPhase (matter)Materials ChemistrymedicineMoleculePhysical and Theoretical ChemistrySpectroscopyEutectic systemChemistryHydrogen bond021001 nanoscience & nanotechnologyCondensed Matter PhysicsAtomic and Molecular Physics and Opticsmolecular dynamicsPARTICLE MESH EWALDIONIC LIQUIDSNEUTRON-SCATTERINGMIXTURESNANOSTRUCTUREDENSITYACID0104 chemical sciencesElectronic Optical and Magnetic MaterialsDeep eutectic solventPhysical chemistry0210 nano-technologyliquid structuremedicine.drugCholine chloride
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Structural Features of β-Cyclodextrin Solvation in the Deep Eutectic Solvent, Reline

2020

The inherently amphiphilic nature of native cyclodextrins (CDs) determines their peculiar molecular encapsulation features, enabling applications such as targeted drug nanodelivery, aroma protection, etc. On the contrary, it may also lead to poor solubility in water and other organic solvents and to potentially detrimental flocking in these media, thus posing limitations to more extensive usage. Here we use small angle X-ray scattering to show that deep eutectic solvent reline (1:2 choline chloride:urea) succeeds in dissolving large amounts of beta-CD (at least 800 mg/mL, compared with the solubility in water of 18 mg/mL), without aggregation phenomena occurring. At the microscopic level, m…

deep eutectic solventMolecular dynamics010402 general chemistry01 natural sciencesCholinechemistry.chemical_compound0103 physical sciencesAmphiphileMaterials ChemistryCyclodextrinPhysical and Theoretical ChemistrySolubilityDissolutionchemistry.chemical_classification010304 chemical physicsCyclodextrinChemistryMDCyclodextrinDeep Eutectic SolventStructural PropertiesSolvationMolecular encapsulationsmall angle x-ray scattering0104 chemical sciencesSurfaces Coatings and FilmsDeep eutectic solventCyclodextrin Choline MD Drug deliveryChemical engineeringDrug deliveryCholine chloride
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Unusual Regioselectivity in the Opening of Epoxides by Carboxylic Acid Enediolates

2008

Addition of carboxylic acid dianions appears to be a potential alternative to the use of aluminium enolates for nucleophilic ring opening of epoxides. These conditions require the use of a sub-stoichiometric amount of amine (10% mol) for dianion generation and the previous activation of the epoxide with LiCl. Yields are good, with high regioselectivity, but the use of styrene oxide led, unexpectedly, to a mixture resulting from the attack on both the primary and secondary carbon atoms. Generally, a low diastereoselectivity is seen on attack at the primary center, however only one diastereoisomer was obtained from attack to the secondary carbon of the styrene oxide.

diastereoselectivity.Carboxylic acidCarboxylic AcidsPharmaceutical ScienceEpoxideMedicinal chemistryAnalytical Chemistrylcsh:QD241-441chemistry.chemical_compoundLactoneslcsh:Organic chemistryNucleophileStyrene oxideDrug DiscoveryOrganic chemistryPhysical and Theoretical Chemistrylithium chloridechemistry.chemical_classificationNucleophilic additionCommunicationOrganic ChemistryDiastereomerRegioselectivitydiastereoselectivitynucleophilic additionchemistryChemistry (miscellaneous)regioselectivityMolecular MedicineEpoxy CompoundsAmine gas treatingMolecules
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A study of the atmospherically important reactions of dimethylsulfide (DMS) with I2 and ICl using infrared matrix isolation spectroscopy and electron…

2012

The reactions of dimethylsulfide (DMS) with molecular iodine (I(2)) and iodine monochloride (ICl) have been studied by infrared matrix isolation spectroscopy by co-condensation of the reagents in an inert gas matrix. Molecular adducts of DMS + I(2) and DMS + ICl have also been prepared using standard synthetic methods. The vapour above each of these adducts trapped in an inert gas matrix gave the same infrared spectrum as that recorded for the corresponding co-condensation reaction. In each case, the infrared spectrum has been interpreted in terms of a van der Waals adduct, DMS : I(2) and DMS : ICl, with the aid of infrared spectra computed for their minimum energy structures at the MP2 lev…

dimethylsulfide infrared matrix isolation spectroscopy electronic structure calculationsInfraredMatrix isolationGeneral Physics and AstronomyInfrared spectroscopyPhotochemistryTransition stateIodine monochloridechemistry.chemical_compoundsymbols.namesakechemistrysymbolsPhysical chemistryPhysical and Theoretical Chemistryvan der Waals forceInert gasSpectroscopyPhysical chemistry chemical physics : PCCP
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Ozone-Based Atomic Layer Deposition of Al2O3 from Dimethylaluminum Chloride and Its Impact on Silicon Surface Passivation

2017

Dimethylaluminum chloride (DMACl) as an aluminum source has shown promising potential to replace more expensive and commonly used trimethylaluminum in the semiconductor industry for atomic layer deposited (ALD) thin films. Here, the Al2O3 DMACl-process is modified by replacing the common ALD oxidant, water, by ozone that offers several benefits including shorter purge time, layer-by-layer growth, and improved film adhesion. It is shown that the introduction of the ozone instead of water increases carbon and chlorine content in the Al2O3, while long ozone pulses increase the amount of interfacial hydrogen at silicon surface. These are found to be beneficial effects regarding the surface pass…

dimetyylialumiinikloridiALDpuolijohteetAl2O3dimethylaluminum chlorideotsonisilicon surface passivation
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Organotin(IV) Adducts of 5,7-Diphenyl-1,2,4-triazolo[1,5-a] pyrimidine and 5,7-Ditertbutyl-1,2,4-triazolo[1,5-a] pyrimidine

2007

diorganotin(IV) chlorides 124-triazolo[15-a] pyrimidine
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