Search results for "sol"

showing 10 items of 23782 documents

Variable Cooperative Interactions in the Pressure and Thermally Induced Multistep Spin Transition in a Two-Dimensional Iron(II) Coordination Polymer

2020

Two types of experiments conducted to investigate the effect of pressure on the spin crossover (SCO) properties of the 2D Fe(II) coordination polymer formulated {Fe[bipy(ttr)2]}n are reported, namely, (1) magnetic measurements performed at variable temperature and at fixed pressure and (2) visible spectroscopy at variable pressure and fixed temperature. The magnetic experiments carried out under a hydrostatic pressure constraint of 0.04, 0.08, and 0.8 GPa reveal a two-step spin transition behavior. The characteristic critical temperatures of the spin transition are shifted upward in temperature as pressure increases. The slope of the straight-line of the Tc vs P plot, dTc/dP, is 775 K/GPa a…

010405 organic chemistryCoordination polymerHydrostatic pressureSpin transitionElastic energyThermodynamicsFlory–Huggins solution theory010402 general chemistry01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundUltraviolet visible spectroscopychemistrySpin crossoverLattice (order)Physical and Theoretical ChemistryInorganic Chemistry
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Hierarchical Beta zeolites as catalysts in a one-pot three-component cascade Prins–Friedel–Crafts reaction

2020

Hierarchical Beta zeolites obtained from concentrated reaction mixtures (H2O/Si = 2.5–7.0) in the presence of CTAB and their conventional and nanosponge analogues were investigated in a one-pot cascade environmentally friendly Prins–Friedel–Crafts reaction of butyraldehyde with 3-buten-1-ol and anisole under mild conditions (60 °C). The highest yields of the desired products with 4-aryltetrahydropyran structure were achieved when using hierarchical zeolites characterised by well-developed mesoporosity (facilitating the formation of bulky intermediates and products) and by an increased fraction of highly accessible (evaluated by TTBPy method) medium-strength Bronsted acid sites. Acid sites w…

010405 organic chemistryEther010402 general chemistryAnisole01 natural sciencesPollutionEnvironmentally friendly0104 chemical sciencesCatalysis[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistrychemistry.chemical_compoundAdsorptionchemistryEnvironmental ChemistryOrganic chemistryButyraldehydeBrønsted–Lowry acid–base theoryFriedel–Crafts reactionComputingMilieux_MISCELLANEOUSGreen Chemistry
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2-Methyltetrahydrofuran: A Green Solvent for Iron-Catalyzed Cross-Coupling Reactions

2018

Iron‐catalyzed cross‐coupling reactions allow sustainable formation of C−C bonds using cost‐effective, earth‐abundant base‐metal catalysis for complex syntheses of pharmaceuticals, natural products, and fine chemicals. The major challenge to maintain full sustainability of the process is the identification of green and renewable solvents that can be harnessed to replace the conventional solvents for this highly attractive reaction. Herein, iron‐catalyzed cross‐coupling of aryl chlorides and tosylates with challenging organometallic reagents possessing β‐hydrogens is found to proceed in good to excellent yields with the green, sustainable, and eco‐friendly 2‐methyltetrahydrofuran (2‐MeTHF) a…

010405 organic chemistryGeneral Chemical EngineeringAryl2-MethyltetrahydrofuranHomogeneous catalysis010402 general chemistry01 natural sciencesCombinatorial chemistryCoupling reaction0104 chemical sciencesCatalysisSolventchemistry.chemical_compoundGeneral EnergychemistryReagentFunctional groupEnvironmental ChemistryGeneral Materials ScienceChemSusChem
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Hydrogen-Bonded Open-Framework with Pyridyl-Decorated Channels: Straightforward Preparation and Insight into Its Affinity for Acidic Molecules in Sol…

2017

International audience; An hydrogen-bonded open framework with pores decorated by pyridyl groups has been constructed following an off-charge-stoichiometry assemblage of protonated tetrakis(4-pyridyl-oxymethyl)methane and [Al(oxalate)3]3-, respectively the H-bond donor and acceptor of the ionic H-bond interactions. This supramolecular porous architecture (SPA-2) possesses 1 nm-large pores interconnected in 3D with high solvent accessible void (53%). It demonstrated remarkable affinity for acidic organic molecules in solution, which was investigated by the means of various carboxylic acids including larger drug molecules. Noteworthy, competing sorption between acetic acid and its halogenated…

010405 organic chemistryHydrogen bondChemistryOrganic ChemistrySupramolecular chemistryIonic bondingProtonationSorptionGeneral ChemistryHydrogen-Bonding010402 general chemistry[ CHIM ] Chemical Sciences01 natural sciencessupramolecular chemistryCatalysis0104 chemical sciencesSolventPolymer chemistryhost-guest chemistry[CHIM]Chemical SciencesMoleculeOrganic chemistryoxalate complexporous materialHost–guest chemistryChemistry (Weinheim an der Bergstrasse, Germany)
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Water-Soluble Squaramide Dihydrates: N-Methylation Modulates the Occurrence of One- and Two-Dimensional Water Clusters through Hydrogen Bonding and D…

2018

Water confined in molecular size domains is distinct to bulk water. The altered interactions between adjacent water molecules, and between water molecules and molecular wall components of the confinement system, determine aspects of important phenomena in material science, biology, and nanotechnology. The structural determination of confined water, however, has proven to be challenging. Here, we describe the crystal structures of three related squaramides 1–3 whose molecular structures are modulated by the gradual incorporation of N-methyl groups to the squaramide moiety. The three squaramides differ in their hydrogen bonding capabilities due to the different degree of N-methylation of each…

010405 organic chemistryHydrogen bondChemistrySquaramideGeneral ChemistryCrystal structureN methylation010402 general chemistryCondensed Matter Physics01 natural sciences0104 chemical sciencesDipoleWater solubleChemical physicsMoleculeMoietyGeneral Materials ScienceCrystal Growth & Design
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Protonation of a Spherical Macrotricyclic Tetramine: Water Inclusion, Allosteric Effect, and Cooperativity

2017

The spherical macrotricyclic cryptand tetramine "C24" (1) displays remarkable protonation behaviour. It undergoes protonation in four successive steps for which pKa values of 11.17±0.05, 10.28±0.04, 6.00±0.06 and 3.08±0.08 have been determined at 298 K. The unusually close values for the first two protonations provide evidence for the encapsulation of a water molecule serving as effector for the second protonation, which is consistent with earlier observations that the exchange of protons bound in the diprotonated species with solvent protons is unusually slow and that 17 O NMR spectra show the presence of an oxygen centre in the same species quite distinct from that of solvent water. Encap…

010405 organic chemistryHydrogen bondprotonationPicrateCryptandProtonationCooperativityGeneral Chemistry010402 general chemistry01 natural sciences0104 chemical sciencesSolventNMR spectra databasechemistry.chemical_compoundCrystallographymacrocycleschemistrysupramolekulaarinen kemiaMoleculeta116tetraminesChemPlusChem
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Modulation of the ordering temperature in anilato-based magnets

2019

Abstract Four new 2D honeycomb anilato-based ferrimagnets with Mn(II) and Cr(III) have been prepared and characterized. These compounds, formulated as (NBu4)[MnCr(C6O4X2)3(PhCHO)]·PhY (X/Y = Cl/H (1), Br/H (2), Cl/CHO (3) and Br/CHO (4) show that it is possible to include benzaldehyde as a co-ligand coordinated to the Mn(II) metal atom in these 2D ferrimagnets. This inclusion increases the coordination number of Mn(II) to seven resulting in a change in the ordering temperatures of these 2D ferrimagnets (from ca. 10–11 K to ca. 7 K). Here we show the role played by the additional benzaldehyde ligand and by the crystallization solvent molecules (benzene in 1 and 2 and benzaldehyde in 3 and 4)…

010405 organic chemistryLigandCoordination number010402 general chemistry01 natural sciences0104 chemical scienceslaw.inventionInorganic ChemistrySolventBenzaldehydeMetalchemistry.chemical_compoundCrystallographychemistrylawvisual_artMaterials Chemistryvisual_art.visual_art_mediumMoleculePhysical and Theoretical ChemistryCrystallizationBenzenePolyhedron
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A new chiral dimanganese(iii) complex: synthesis, crystal structure, spectroscopic, magnetic, and catalytic properties

2016

Two enantiomeric complexes of formula [MnIII2(μ-OCH3)2(R-valBINAM)2]·1.75DMF (1) and [MnIII2(μ-OCH3)2(S-valBINAM)2]·2DMF (2) [valBINAM = 1,1′-binaphthalene-2,2′-bis(3-methoxysalicylideneiminate)] have been synthesized using as a ligand the chiral Schiff bases resulting from the condensation reactions between o-vanillin and the chiral 1,1′-binaphthyl-2,2′-diamine. The structures of 1 and 2 which have been solved by single crystal X-ray diffraction consist of neutral dimers, the manganese(III) ions being bridged by two methoxido anions, arising from the solvent, and by two valBINAM2− ligands. Their circular dichroism spectra at room temperature emphasize the occurrence of the exciton coupling…

010405 organic chemistryLigandGeneral Chemical EngineeringInorganic chemistrychemistry.chemical_elementGeneral ChemistryManganeseCrystal structure010402 general chemistryCondensation reaction01 natural sciences0104 chemical sciencesCatalysisSolventCrystallographychemistryEnantiomerSingle crystalRSC Advances
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Hexanuclear manganese(III) single-molecule magnets based on oxime and azole-type ligands

2019

Abstract Two novel hexanuclear manganese(III) complexes belonging to the Mn6 family of single-molecule magnets (SMMs), of formulae [Mn6(μ3-O)2(H2N-sao)6(bta)2(EtOH)6]·2EtOH·4H2O (1) and [Mn6(μ3-O)2(H2N-sao)6(pta)2(EtOH)6]·4EtOH (2) [H2N-saoH2 = salicylamidoxime, bta = 1,2,3-benzotriazolate anion, pta = 5-phenyl-tetrazolate anion], have been synthesized and characterized structurally and magnetically. Both compounds crystallize in the triclinic system with space group P 1 ¯ (1 and 2). In their crystal packing, adjacent Mn6 complexes are connected through non-coordinating solvent molecules, which are H-bonded to N atoms of azole rings and –NH2 groups of salicylamidoxime ligand. The study of t…

010405 organic chemistryLigandMetal ions in aqueous solutionRelaxation (NMR)chemistry.chemical_elementManganeseTriclinic crystal system010402 general chemistry01 natural sciencesMagnetic susceptibility0104 chemical sciencesInorganic ChemistryCrystallographyMagnetizationchemistryMaterials ChemistryMoleculePhysical and Theoretical ChemistryPolyhedron
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Functionalized phosphonates as building units for multi-dimensional homo- and heterometallic 3d-4f inorganic-organic hybrid-materials.

2016

Using the multifunctional ligand H4L (2,2'-bipyridinyl-5,5'-diphosphonic acid), a new family of inorganic-organic hybrid-materials was prepared. The ligand shows a very high flexibility regarding the coordination mode, leading to a large structural diversity. The compounds 1a, 1b ([M(H2L)(H2O)4]·2.5H2O; M = Co(2+) (a), Ni(2+) (b)), 2 ([Gd2(H2H'L)2(H2H'2L)(H2O)6]Cl4·14H2O), 3a, 3b, 3c ([MCo(iii)(H2L)3(H2O)2]·6.5H2O; M = Gd(3+) (a), Dy(3+) (b) and Tb(3+) (c)), and 4 ([GdNi(ii)(H2L)3(H2O)3]NaCl·6H2O) were isolated and characterized with single crystal X-ray diffraction. Depending on the used metal ions and on the stoichiometry, either discrete entities (0D), extended 2D layers or 3D frameworks…

010405 organic chemistryLigandStereochemistryMetal ions in aqueous solution010402 general chemistry01 natural sciencesPhosphonate0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryMulti dimensionalHydrothermal synthesisHybrid materialSingle crystalStoichiometryDalton transactions (Cambridge, England : 2003)
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