Search results for " Spectroscopy"

showing 10 items of 6851 documents

Field-Induced Slow Magnetic Relaxation in a Mononuclear Manganese(III)-Porphyrin Complex

2015

We report on a novel manganese(III)-porphyrin complex with the formula [Mn(III) (TPP)(3,5-Me2 pyNO)2 ]ClO4 ⋅CH3 CN (2; 3,5-Me2 pyNO=3,5-dimethylpyridine N-oxide, H2 TPP=5,10,15,20-tetraphenylporphyrin), in which the Mn(III) ion is six-coordinate with two monodentate 3,5-Me2 pyNO molecules and a tetradentate TPP ligand to build a tetragonally elongated octahedral geometry. The environment in 2 is responsible for the large and negative axial zero-field splitting (D=-3.8 cm(-1) ), low rhombicity (E/|D|=0.04) of the high-spin Mn(III) ion, and, ultimately, for the observation of slow magnetic-relaxation effects (Ea =15.5 cm(-1) at H=1000 G) in this rare example of a manganese-based single-ion ma…

DenticityPorphyrinsMetalloporphyrinsPyridineschemistry.chemical_elementManganese010402 general chemistryCrystallography X-RayLigands01 natural sciencesCatalysisIonlaw.inventionchemistry.chemical_compoundlawOctahedral molecular geometryMoleculeElectron paramagnetic resonanceComputingMilieux_MISCELLANEOUS[PHYS]Physics [physics]Manganese010405 organic chemistryLigandOrganic ChemistryElectron Spin Resonance SpectroscopyTemperatureGeneral ChemistryPorphyrin0104 chemical sciencesCrystallographychemistryMagnets
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Biomimetic Mn-catalases based on dimeric manganese complexes in mesoporous silica for potential antioxidant agent

2015

Two new structural and functional models of the Mn-catalase with formula [{Mn(III)(bpy)(H2O)}(μ-2-MeOC6H4CO2)2(μ-O){Mn(III)(bpy)(X)}]X, where X = NO3 (1) and ClO4 (2) and bpy = 2,2'-bipyridine, were synthesized and characterized by X-ray diffraction. In both cases, a water molecule and an X ion occupy the monodentate positions. The magnetic properties of these compounds reveal a weak antiferromagnetic behavior (2J = -2.2 cm(-1) for 1 and -0.7 cm(-1) for 2, using the spin Hamiltonian H = -2J S1·S2) and negative zero-field splitting parameter DMn (-4.6 cm(-1) and -3.0 cm(-1) for 1 and 2, respectively). This fact, together with the nearly orthogonal orientation of the Jahn-Teller axes of the M…

DenticitySilicon dioxideInorganic chemistrychemistry.chemical_elementManganeseCrystallography X-Ray010402 general chemistryLigands01 natural sciencesAntioxidantsCoordination complexBioinorganic chemistryInorganic ChemistryBipyridinechemistry.chemical_compoundBiomimeticsMoleculeManganèsPhysical and Theoretical ChemistryMaterialsComputingMilieux_MISCELLANEOUSchemistry.chemical_classificationManganese010405 organic chemistryPhotoelectron SpectroscopyMesoporous silicaQuímica bioinorgànicaCatalaseSilicon Dioxide0104 chemical sciences[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryCrystallographyLligandschemistryHybrid materialDimerization
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DNA binding, nuclease activity, DNA photocleavage and cytotoxic properties of Cu(II) complexes of N-substituted sulfonamides.

2013

Abstract Ternary copper(II) complexes [Cu(NST)2(phen)] (1) and [Cu(NST)2(NH3)2]·H2O (2) [HNST = N-(4,5-dimethylthiazol-2-yl)naphthalene-1-sulfonamide] were prepared and characterized by physico-chemical techniques. Both 1 and 2 were structurally characterized by X-ray crystallography. The crystal structures show the presence of a distorted square planar CuN4 geometry in which the deprotonated sulfonamide, acting as monodentate ligand, binds to the metal ion through the thiazole N atom. Both complexes present intermolecular π–π stacking interactions between phenanthroline rings (compound 1) and between naphthalene rings (compound 2). The interaction of the complexes with CT DNA was studied b…

DenticityStereochemistryCell SurvivalUltraviolet RaysPhenanthrolineRadicalStackingAscorbic AcidNaphthalenesBiochemistryFluorescence spectroscopyInorganic Chemistrychemistry.chemical_compoundInhibitory Concentration 50Coordination ComplexesCell Line TumorAnimalsHumansDNA CleavageThiazoleNucleaseSulfonamidesBinding SitesbiologyCytotoxinsHydroxyl RadicalDNAHydrogen PeroxidePhotochemical ProcessesKineticschemistrybiology.proteinCattleDNACopperPhenanthrolinesJournal of inorganic biochemistry
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Organozin- und organobleiderivate von N-(2,4-dinitrophenyl)glycin

1982

Abstract Organotin and organolead derivatives of N -(2,4-dinitrophenyl)glycine (HDNG), R 3 MDNG (M = Sn, Pb; R = CH 3 , C 6 H 5 ) and (C 6 H 5 ) 2 Pb(DNG) 2 , have been prepared from R 3 MOH or [(C 6 H 5 ) 2 PbO] n and HDNG, respectively. (CH 3 ) 3 PbDNG was also obtained from (CH 3 ) 3 PbBr and TlDNG. According to spectroscopic data R 3 M groups in R 3 MDNG are essentially planar and are bridged by bidentate carboxylate groups of DNG. NH does not coordinate to M. Penta-coordination is also indicated by Mossbauer data of R 3 SnDNG. Also for (C 6 H 5 ) 2 Pb(DNG) 2 a chain structure but with hexacoordination of Pb is proposed. The compounds are monomeric in solution.

DenticityStereochemistryChemistryOrganic ChemistryBiochemistryMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundMonomerGlycineMössbauer spectroscopyMaterials ChemistryCarboxylatePhysical and Theoretical ChemistryJournal of Organometallic Chemistry
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Organometallic complexes with biological molecules, IV. Di- and tri-organotin(IV) amoxicillin derivatives: Solid-state and solution-phase spectroscop…

1995

Novel di- and tri-organotin(IV) derivatives of amoxicillin (amoxicillin - =Amox - =6-[D(-)-β-amino-p-hydroxyphenylacetamido] penicillinate) have been prepared. The isolated compounds showed stoichiometries of the type R 2 SnClAmox.2H 2 O, R 3 SnClAmoxNa.2H 2 O and R 2 SnAmox 2 .2H 2 O (R=Me, Bu, Ph). The infrared spectra suggest that Amox − , in both R 2 SnClAmox.2H 2 O and R 2 SnAmox 2 .2H 2 O, behaves as a monoanionic bidentate ligand, coordinating the tin(IV) atom through the ester-type carboxylate, as well as through the lactamic carbonyl. In R 3 SnClAmoxNa.2H 2 O, Amox - coordinates the organotin(IV) moieties through the lactamic carbonyl. In all of the compounds, water molecules are n…

DenticityStereochemistryInfrared spectroscopyGeneral ChemistryNuclear magnetic resonance spectroscopyInorganic ChemistryCrystallographyTrigonal bipyramidal molecular geometryBipyramidchemistry.chemical_compoundchemistryCarboxylateCoordination geometryAntibacterial agentApplied Organometallic Chemistry
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Complexes of (CH3)2AuIII: synthesis, PMR and IR spectra

1975

Abstract The syntheses and reactivity of dimethylgold(III) complexes with multidentate ligands as TRIPHOS (i.e., 1,1,1-tris(diphenylphosphinomethyl)ethane) and TREN (i.e. 2,2′,2″-triaminotriethylamine) have been examined. I.r. spectra for the compounds in the solid state, conductivity and PMR data for solutions, lead to the assignment of an ionic formula [CH 3 ) 2 Au TRIPHOS] + [(CH 3 ) 2 AuCl 2 ] − where the gold(III) atoms are presumably four-coordinate. The complex (CH 3 ) 2 AuCl TREN in DMSO solution undergoes a reductive elimination reaction, as found for analogous dimethylgold(III) derivatives.

DenticityStereochemistryIonic bondingInfrared spectroscopyConductivityMedicinal chemistrySpectral lineTriphosReductive eliminationInorganic Chemistrychemistry.chemical_compoundchemistryMaterials ChemistryReactivity (chemistry)Physical and Theoretical ChemistryInorganica Chimica Acta
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Polypyridyl-functionalizated alkynyl gold(i) metallaligands supported by tri- and tetradentate phosphanes

2017

A series of alkynyl gold(I) tri and tetratopic metallaligands of the type [Au3(CuC-R)3(μ3-triphosphane)] (R = 2,2'-bipyridin-5-yl or C10H7N2, 2,2':6',2''-terpyridin-4-yl or C15H10N3; triphosphane = 1,1,1-tris(diphenylphosphanyl) ethane or triphos, 1,3,5-tris(diphenylphosphanyl)benzene or triphosph) and [Au4(CuC-R)4 (μ4-tetraphosphane)] (R = C10H7N2, C15H10N3; tetraphosphane = tetrakis(diphenylphosphanylmethyl)methane or tetraphos, 1,2,3,5-tetrakis(diphenylphosphanyl)benzene or tpbz, tetrakis(diphenylphosphaneylmethyl)-1,2- ethylenediamine or dppeda) were obtained in moderate to good yields. All complexes could be prepared by a Q4 reaction between the alkynyl gold(I) polymeric species [Au(Cu…

DenticityStereochemistryOrCrystal structureLigands010402 general chemistry01 natural sciencesMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundcoordination complexesta116kemiallinen synteesiligands010405 organic chemistryChemistryLigandAromaticitykompleksiyhdisteetliganditNuclear magnetic resonance spectroscopyTriphos0104 chemical sciencesLligandsTriphosphaneCompostos d'orIntramolecular forceGoldGold compoundschemical synthesisDalton Transactions
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Structural characterization of triorganotin(IV) complexes with sodium fusidate and DFT calculations

2010

Abstract Three new complexes of the steroid sodium fusidate (sodium 2-[(1 S ,2 S ,5 R ,6 S ,7 S ,10 S ,11 S ,13 S , 14 Z ,15 R ,17 R )-13-(acetyloxy)-5,17-dihydroxy-2,6,10,11-tetramethyl tetracyclo[8.7.0.0 2,7 .0 11,15 ] heptadecan-14-ylidene]-6-methylhept-5-enoate = (NaFusidate, Na FA )]), with triorganotin(IV) moieties have been prepared and investigated by conventional techniques as FTIR, Mossbauer, ESI-MS and NMR spectroscopy. The isolated compounds showed stoichiometries organotin(IV)/fusidate 1/1, R 3 Sn(IV) FA (R = Me, FA1 ; Bu, FA2 ; Ph, FA3 ). The ligand coordination sites were determined by FTIR spectroscopic measurements. In the complexes, the carboxylate group of the fusidate li…

DenticityTriorganotin(IV)Mössbauer spectroscopyLigandOrganic ChemistryInorganic chemistrychemistry.chemical_elementQuadrupole splittingNuclear magnetic resonance spectroscopyBiochemistrySteroid carboxylate Triorganotin(IV) NMRFTIRMössbauer spectroscopySteroid carboxylateNMRInorganic Chemistrychemistry.chemical_compoundCrystallographyMonomerFTIRchemistryMössbauer spectroscopyMaterials ChemistryCarboxylatePhysical and Theoretical ChemistryTin
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Organometallic complexes with biological molecules. IX. Diorgano- and triorgano-tin(IV)[meso-tetra (4-sulfonatophenyl)porphinate] derivatives: solid-…

1997

Diorgano- and triorgano-tin(IV) derivatives of meso-tetra(4-sulfonatophenyl)porphine (H4TPPS) with general formula (R2Sn)2TPPS and (R3Sn)4TPPS (TPPS4−=[meso-tetra(4-sulfonatophenyl)porphinate]4−, R=Me, Bu, Ph) have been obtained and their solid-state configuration inferred on the basis of IR and Mossbauer spectroscopy, while solution-phase studies have been carried out by 1H and 13C NMR in DMSO-d6, together with determination of the in vivo cytotoxicity of the new derivatives towards embryonic development of Ciona intestinalis. In particular, octahedral and trigonal-bipyramidal eq-R3Sn polymeric configurations are proposed, in the solid state, respectively for (R2Sn)2TPPS and (R3Sn)4TPPS co…

DenticitybiologyChemistryMeso compoundStereochemistryInfrared spectroscopyGeneral ChemistryCarbon-13 NMRbiology.organism_classificationChemical synthesisInorganic ChemistryCrystallographyOctahedronMössbauer spectroscopyTetraApplied Organometallic Chemistry
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Preparation and structural studies on the tBu2Sn(IV) complexes with aromatic mono- and dicarboxylic acids containing hetero {N} donor atom

2004

Nine complexes of 'Bu2Sn(IV)(2+) were obtained in the solid state with ligands containing -COOH group(s) and aromatic (N) donor atom. The binding sites of the ligands were identified by FT-IR spectroscopic measurements. It was found that in most cases the -COO- groups are co-ordinated in monodentate manner. Nevertheless, in some of our complexes, the -COO- group forms bridges between two central {Sn} atoms resulting in the formation of an oligomeric structure, a motif that is characteristic only to the nicotinate compound. These pieces of information and the rationalisation of the experimental Sn-119 Mossbauer nuclear quadrupole splittings, Delta, - according to the point charge model forma…

DenticitygeometryX ray diffractionCrystal structureOrganotin(IV)nicotinic acid derivativeBiochemistryInorganic Chemistrycomplex formationMaterials ChemistryMoleculeorganotin compoundcontrolled studyPhysical and Theoretical Chemistryinfrared spectroscopychemical bindinghydrogen bondHydrogen bondChemistryMössbauer spectroscopybinding siteOrganic ChemistryarticleSquare pyramidal molecular geometryX-ray diffractionFT-IRtin derivativeTrigonal bipyramidal molecular geometryCrystallographyOctahedrondicarboxylic acidSettore CHIM/03 - Chimica Generale E Inorganicachemical structureMolecular modellingcarboxylic acidsynthesimolecular modelchemical analysiSingle crystal
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