Search results for "Protonation"

showing 10 items of 583 documents

Weak intermolecular interactions promote blue luminescence of protonated 2,2′-dipyridylamine salts

2014

In this work we demonstrate that protonation and π-stacking can be exploited to convert non-luminescent 2,2′-dipyridylamine into blue-emitting derivatives. We have synthesized a series of luminescent 2,2′-dipyridylamine (dpa) salts, i.e., (dpaH)X·nSolv (dpa = 2,2′-dipyridylamine, X = HF2, n = 0.5, Solv = H2O 1; X = Cl, n = 2, Solv = H2O 2; X = Br, n = 2, Solv = H2O 3; X = I n = 1, Solv = H2O 4a; X = I n = 1, Solv = CHCl34b), (dpaH)2[SiF6]·H2O 5 and (dpaH)X (X = I36; SbF67; BF48) and characterized their emission properties, both in the solid-state and in solution. To rationalize our observations and relate the luminescence properties to the structure in the solid state and in solution, we ha…

Steric effectsChemistryHydrogen bondIntermolecular forceSolid-stateProtonationGeneral ChemistryConical intersectionCrystallographyComputational chemistryMaterials ChemistryAb initio computationsLuminescenceta116J. Mater. Chem. C
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Kinetico-mechanistic studies of the acidolysis of Rh-C bonds in monocyclometallated dirhodium(II) acetato complexes; influence of electronic and ster…

2011

The protonation/demetallation reaction, in CD(3)COOD, of phosphine monometallated triacetato-bridged dirhodium(ii) complexes of general formulae [Rh(2)(μ-OOCCH(3))(3){(RC(5)CH(3))P(RC(6)H(4))(2)}(2)] has been studied from a kinetico-mechanistic perspective. The process has been monitored via the disappearance of the nuclear magnetic resonance signals of the protons present in the non-metallated ortho positions of the phosphine ligand and taking advantage of the relatively fast back metallation process that follows the acidolysis reaction, the sequence behaving as an overall equilibrium reaction. The process has a high associative character with important entropy demands, increasing both for…

Steric effectsMagnetic Resonance SpectroscopyMolecular StructureChemistryLigandPhosphinesProtonationAcetatesPhotochemistryLigandsMedicinal chemistryCarbonInorganic Chemistrychemistry.chemical_compoundElectrophilePolar effectMoleculeRhodiumChemical equilibriumElectronicsAcidsPhosphineDalton transactions (Cambridge, England : 2003)
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Dual-stimuli pseudorotaxane switches under kinetic control

2021

A series of dumbbell-shaped sec-ammonium salts with bulky (pseudo)stoppers (‘speed bumps’) were tested for their ability to form pseudorotaxanes with a redox-switchable, tetrathiafulvalene (TTF)-decorated [24]crown-8 ether. Depending on the size of the pseudostoppers, fast (less than ten minutes), slow (hours to days) and very slow (no pseudorotaxanes observed) threading has been observed. NMR spectroscopy as well as tandem mass spectrometry indicate the formation of non-threaded face-to-face complexes prior to pseudorotaxanes formation. Both isomers can be distinguished by their substantially different stability in collision-induced dissociation (CID) experiments. Two external stimuli affe…

Steric effectsMechanical bond010405 organic chemistryOrganic ChemistryEtherNuclear magnetic resonance spectroscopy547010402 general chemistry01 natural sciencesDissociation (chemistry)pseudostoppers0104 chemical scienceschemistry.chemical_compoundCrystallographyDeprotonationchemistrysec-ammonium salts500 Naturwissenschaften und Mathematik::540 Chemie::547 Organische ChemieMoietyTetrathiafulvalenepseudorotaxanes
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Protonation and oxidation chemistry of a pentaethylcyclopentadienyl-containing molybdenum(IV) trihydride complex

2000

International audience; Compound CpEtMoCl4 (CpEt=η5-C5Et5) (1) can be transformed into CpEtMoH3(dppe) (2) and CpEtMoD3(dppe) (2-d3) [dppe=1,2-(diphenylphosphino)ethane] by reaction with LiAlX4 (X=H and D, respectively). The protonation and oxidation studies of these two compounds, in comparison with previously reported studies on (C5Me5) analogs, show important differences that may be attributed to a kinetic stabilization of the products, which is steric in nature. Protonation of 2 with HBF4 in acetonitrile affords [CpEtMoH4(dppe)]+ (3), which only slowly decomposes to [CpEtMoH2(MeCN)(dppe)]+ (4). Further protonation of the latter affords the monohydride species [Cp*MoH(dppe)(MeCN)2]2+ in t…

Steric effectsPentaethylcyclopentadienyl complexesProtonTrihydride complexesStereochemistrychemistry.chemical_elementProtonationProtonation010402 general chemistry01 natural sciencesMedicinal chemistryRedoxInorganic Chemistrychemistry.chemical_compoundOxidizing agentOxidationMaterials Chemistry[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical ChemistryAcetonitrileClassical structure010405 organic chemistry0104 chemical scienceschemistryMolybdenumMolybdenum(IV) complexes
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Preparation and reactions of 1-methylpyrid-6-one-2-yl compounds of palladium(II) and platinum(II)

1984

Abstract The compounds trans -[MCl{(1-Me)C 5 H 3 (6-O)N- C 2 }(L) 2 ] (M = Pd, Pt; L = PPh 3 , PMe 2 Ph), can be prepared from the reaction of the corresponding 1-methyl-6-chloro-2-pyridylium cationic complexes, trans -[MCl{(1-Me)C 5 H 3 (6-Cl)N- C 2 }(L) 2 ]ClO 4 , with a mixture of acetic acid, ethanol, and triethylamine in the molar ratio M/MeCO 2 H/EtOH/NEt 3 of 1/3/3/4. The rate is slow compared to that of the 1-methyl-2-chloropyridinium cation under similar conditions, and is markedly affected by the steric and electronic effects of the trans -MCl(L) 2 unit. The novel 1-methylpyrid-6-one-2-yl derivatives have been characterized by conventional spectroscopic techniques and by reactions…

Steric effectsStereochemistryOrganic ChemistryMigratory insertionchemistry.chemical_elementProtonationBiochemistryMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundAcetic acidchemistryMaterials ChemistryElectronic effectPhysical and Theoretical ChemistryTriphenylphosphineTriethylaminePalladiumJournal of Organometallic Chemistry
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Formation of novel T-shaped NNN ligands via rare-earth metal-mediated Si-H activation.

2014

Reactions of silylamides [Ln{N(SiHMe2)2}3(thf)2] with sterically crowded terphenylamine DmpNH2 (Dmp = 2,6-Mes2C6H3 with Mes = 2,4,6-Me3C6H2) afforded via a template reaction the formation of a new tridentate ligand, and derived complexes of composition [LnN{SiMe2N(Dmp)}2] (Ln = Ce, Pr) were obtained. Usage of the even more bulky amine Ar*NH2 (Ar* = 2,6-Trip2C6H3 with Trip = 2,4,6-iPr3C6H2) yielded the free protonated ligand NH{SiMe2NH(Ar*)}2.

Steric effectsTridentate ligandChemistryLigandStereochemistryRare earthProtonationInorganic ChemistryMetalTemplate reactionCrystallographyvisual_artvisual_art.visual_art_mediumAmine gas treatingPhysical and Theoretical ChemistryInorganic chemistry
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The proton complex of a diaza-macropentacycle: structure, slow formation, and chirality induction by ion pairing with the optically active 1,1'-binap…

2008

The protonation of a sterically crowded [N2S6] macropentacycle (1) with 1 equiv of CF3SO3H in CDCl3 is slow and gives the singly (oo(+) [1 x H](+)) and doubly (o(+)o(+) [1 x 2H](2+)) protonated forms as kinetic products, the i(+)o form of [1 x H](+) being the thermodynamic product. i(+)o [1 x H](+) is C3 helically chiral in the solid state and in solution. The barrier to racemization (DeltaG(double dagger)) of the [1 x H](+) propeller is71 kJ mol(-1). The ammonium proton is encapsulated in the tetrahedral coordination sphere provided by the endo (i) nitrogen bridgehead atom and the three proximal thioether sulfurs, which makes [1 x H](+) a proton complex. Use of the optically active acid (R…

Steric effects[CHIM.ORGA]Chemical Sciences/Organic chemistry010405 organic chemistryStereochemistryChemistryOrganic ChemistryKineticsProtonation010402 general chemistry01 natural sciencesMedicinal chemistry0104 chemical sciences3. Good healthIonReaction rate[ CHIM.ORGA ] Chemical Sciences/Organic chemistryMoleculeChirality (chemistry)RacemizationComputingMilieux_MISCELLANEOUS
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ChemInform Abstract: Bioinspired Functional Analogs of the Active Site of Molybdenum Enzymes: Intermediates and Mechanisms

2015

Abstract Molybdenum(VI) complexes of the general type MoVI(L)2(E)O (L = 2-(aryl N CH)-pyrrolylato, E = O, NtBu) and their relevance as bioinspired functional analogs for molybdenum-containing oxotransferases are reviewed. All complexes are capable of transfering oxygen atoms to PR3 (forward oxygen atom transfer) giving OPR3 and phosphane molybdenum(IV) complexes MoIV(L)2(E)(PR3) (with a second equivalent PR3) via the transient phosphoryl complex MoIV(L)2(E)(OPR3) and the five-coordinate intermediate MoIV(L)2(E). Reactivity of MoIV(L)2(E) and the favored stereochemistry of products from excess PR3 MoIV(L)2(E)(PR3) depend on the steric demand of the chelate ligands (L)−, the π donor ligand E …

Steric effectsbiologyChemistryLigandDimerActive siteProtonationGeneral MedicineMedicinal chemistryRedoxElectron transferchemistry.chemical_compoundCatalytic cyclebiology.proteinChemInform
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Bioinspired functional analogs of the active site of molybdenum enzymes: Intermediates and mechanisms

2015

Abstract Molybdenum(VI) complexes of the general type MoVI(L)2(E)O (L = 2-(aryl N CH)-pyrrolylato, E = O, NtBu) and their relevance as bioinspired functional analogs for molybdenum-containing oxotransferases are reviewed. All complexes are capable of transfering oxygen atoms to PR3 (forward oxygen atom transfer) giving OPR3 and phosphane molybdenum(IV) complexes MoIV(L)2(E)(PR3) (with a second equivalent PR3) via the transient phosphoryl complex MoIV(L)2(E)(OPR3) and the five-coordinate intermediate MoIV(L)2(E). Reactivity of MoIV(L)2(E) and the favored stereochemistry of products from excess PR3 MoIV(L)2(E)(PR3) depend on the steric demand of the chelate ligands (L)−, the π donor ligand E …

Steric effectsbiologyLigandDimerInorganic chemistryActive siteProtonationRedoxMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundElectron transferchemistryCatalytic cycleMaterials Chemistrybiology.proteinPhysical and Theoretical ChemistryCoordination Chemistry Reviews
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Gas-phase and solution basicities of some alkyl 2,6-dialkylphenyl ketones: A comparative analysis

2000

Abstract The gas-phase basicity of a number of alkyl 2,6-dialkylphenyl ketones (2,6-R2C6H3COR′) has been found to be almost insensitive to structural variations, as a result of a compensation of steric and electronic effects associated with the bulkiness and to the polarizability, respectively, of R and/or R′. On the contrary, the basicity in concentrated sulfuric acid undergoes, along the same series of compounds, a variation of nearly 8 pK units, as a consequence of steric inhibition of solvation of the protonated carbonyl as the main effect played by R and/or R′. The results in the condensed phase agree very nicely with recent findings relevant to some 4-substituted 2,6-dimethylacetophen…

Steric effectschemistry.chemical_classificationChemistryStereochemistryArylOrganic ChemistrySolvationProtonationBiochemistryMedicinal chemistrychemistry.chemical_compoundPolarizabilityPhase (matter)Drug DiscoveryElectronic effectAlkyl
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