Search results for "Spectroscopy"

showing 10 items of 10293 documents

Syntheses and Solid-State Structures of Some Dialkyltin Derivatives of ?-Methoxy- and ?-Acetoxy-phenylacetic Acids

1996

Several di-n-butyltin and diethyltin biscarboxylates and distannoxanes of α-methoxy- and α-acetoxy-phenylacetic acids were synthesized and (two of) their structures were studied by means of X-ray diffraction analysis as well as by means of IR and Mossbauer spectroscopies. It was shown for {[(n-Bu) 2 - SnOC(O)CH(OMe)Ph] 2 O} 2 that there is an interaction between the OMe group and one of the endocyclic tin atoms, resulting in a distorted pentagonal-bipyramidal geometry with the pentagonal plane defined by five O atoms and an uncommon seven coordination number for this tin atom. Spectral data indicate that biscarboxylates have trans-octahedral structures.

StereochemistryDimerchemistry.chemical_elementGeneral ChemistryCrystal structureChemical synthesisInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryMössbauer spectroscopyX-ray crystallographyMoleculeCarboxylateTinApplied Organometallic Chemistry
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Star-shaped conjugated compounds forming nematic discotic systems

2004

Abstract Star-shaped compounds, having a benzene ( 9a,b ) or a 1,3,5-triazine ( 11a,b ) core and stilbenoid arms were prepared. Hexyloxy chains, attached in the middle of the arms, provide nematic discotic phases ND, which are unusual for such systems. The position of the sidechains prevents the micro-segregation, which is valid for star-shaped discs of columnar phases. The stilbenoid character of 9a,b and 11a,b guarantees a high light sensitivity. Apart from the statistical CC bond formation by irradiation in solution or in the LC phases, a topochemically controlled chemo-, regio- and stereoselective photocyclodimerization 11a → 12 was found in the crystalline state. The structure determin…

StereochemistryDiscotic liquid crystalOrganic ChemistryConjugated systemStar (graph theory)StilbenoidBiochemistrychemistry.chemical_compoundCrystallographychemistryLiquid crystalDrug DiscoveryStereoselectivityBenzeneTwo-dimensional nuclear magnetic resonance spectroscopyTetrahedron
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Triple bridged μ-phenoxo-bis(μ-carboxylate) and double bridged μ-phenoxo-μ1,1-azide/μ-methoxide dicopper(II) complexes: Syntheses, structures, magnet…

2013

Abstract The work in this paper presents syntheses, characterization, crystal structures, catecholase activity, electrospray ionization mass spectroscopy (ESI-MS positive), and magnetic properties of seven triple bridged μ-phenoxo-bis(μ-carboxylate) dicopper(II) complexes [CuII2L(μ-HCOO)2](ClO4)·CH3OH (1), [CuII2L(μ-CH3COO)2](ClO4) (2), [CuII2L(μ-CCl3COO)2(H2O)](ClO4) (3), [CuII2L(μ-CH3CH2COO)2](ClO4) (4), [CuII2L(μ-CH3CH2CH2COO)2](ClO4) (5), [CuII2L(μ-PhCOO)2](ClO4)·CH3CN (6) and [CuII2L(μ-o-ClPhCOO)2](ClO4) (7), one double bridged μ-phenoxo-μ1,1-azide system [CuII2L(μ1,1-N3)(N3)2] (8) and one double bridged μ-phenoxo-μ-methoxide system [CuII2L(μ-OCH3)(NCO)2] (9), derived from a new dinucl…

StereochemistryElectrospray ionizationCrystal structureMethoxideInorganic ChemistryMetalchemistry.chemical_compoundCrystallographychemistryMagnetochemistryvisual_artMaterials Chemistryvisual_art.visual_art_mediumAzideCarboxylatePhysical and Theoretical ChemistrySpectroscopyPolyhedron
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Mass spectra of methoxychlorobenzenes (chloroanisoles)

1988

Electron impact mass of all 19 ring-substituted chloroanisoles have been investigated. The fragmentation pathways were elucidated with the aid of the 1st field-free region metastable ions. The greatest disparity between the spectra of the positional isomers is shown with the [M−CH 3 ] + and [M−CH 2 O] +• ions, i.e., the ortho and para isomers preferentially lose • CH 3 , whereas the meta isomers generally show both loss of • CH 3 and elimination of formaldehyde, the latter process being more dominant with the meta-monochloro and di- and trichloro isomers having two meta-chlorine atoms. Characteristic for all isomers is also the abundant M +• and [M−CH 3 −CO] + ions, the other fragmentation …

StereochemistryFormaldehydeBiochemistryMedicinal chemistrySpectral lineIonchemistry.chemical_compoundchemistryFragmentation (mass spectrometry)MetastabilityMass spectrumStructural isomerMolecular MedicineSpectroscopyElectron ionizationBiological Mass Spectrometry
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Charge transfer salts containing a paramagnetic cyano-complex and iodine substituted organic donor involving –I(donor)···N(anion)-interactions

2005

Abstract The preparation, crystal structures, EHT band calculation and optical properties of two new charge transfer salts, namely (DIET)2[Fe(bpca)(CN)3] (1) and (DIEDO)2[Fe(bpca)(CN)3] (2), where bpca = bis(2-pyridylcarbonyl)amide anion, DIET = diiodoethylenedithotetrathiavalene and DIEDO = diiodoethylenedioxotetrathiavalene are reported. The magnetic properties of 2 and those of the low-spin iron(III) precursor of formula (PPh4)[Fe(bpca)(CN)3]·H2O (3) were also investigated in the temperature range 1.9–205 K. Crystal data; (1): monoclinic P21, a = 8.8238(2)A, b = 13.2891(3) A, c = 18.5042(5) A, β = 91.115(1)°, Z = 2, R = 0.0710 for 7021 independent reflections with I > 2 σ(I) and (2): Mon…

StereochemistryGeneral Chemical EngineeringInfrared spectroscopyGeneral ChemistryCrystal structureAtmospheric temperature rangeParamagnetismchemistry.chemical_compoundCrystallographychemistryAmideMoleculeAntiferromagnetismMonoclinic crystal systemComptes Rendus Chimie
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Synthesis and Characterization of New Bivalent Agents as Melatonin- and Histamine H3-Ligands

2014

Melatonin is an endogenous molecule involved in many pathophysiological processes. In addition to the control of circadian rhythms, its antioxidant and neuroprotective properties have been widely described. Thus far, different bivalent compounds composed by a melatonin molecule linked to another neuroprotective agent were synthesized and tested for their ability to block neurodegenerative processes in vitro and in vivo. To identify a novel class of potential neuroprotective compounds, we prepared a series of bivalent ligands, in which a prototypic melatonergic ligand is connected to an imidazole-based H3 receptor antagonist through a flexible linker. Four imidazolyl-alkyloxy-anilinoethylami…

StereochemistryHistamine AntagonistsLigandsMelatonin receptorMT<sub>2</sub>ArticleCatalysisInorganic Chemistrylcsh:ChemistryHistamine receptorPiperidinesH<sub>3</sub> antagonistsHumansReceptors Histamine H3Physical and Theoretical ChemistryBinding siteReceptormelatonin receptorMolecular Biologylcsh:QH301-705.5SpectroscopyBinding SitesReceptor Melatonin MT2ChemistryReceptor Melatonin MT1MT1Organic ChemistryMT2ImidazolesHistaminergicMT<sub>1</sub>General Medicinemelatonin receptor; MT1; MT2; H3 antagonists; bivalent ligandsLigand (biochemistry)Protein Structure TertiaryComputer Science ApplicationsMelatonergicMolecular Docking SimulationBiochemistrylcsh:Biology (General)lcsh:QD1-999bivalent ligandsHistamine H3 receptorH3 antagonistsProtein BindingInternational Journal of Molecular Sciences
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Synthesis of polymeric alkoxides from dialkyltin(IV) oxides and chloral, and their characterization by mössbauer and infrared spectroscopy

1979

Abstract The reaction of (Alk2SnO)n with OCH·CCl3 gives compounds of elemental formula Alk2SnOCH- (CCI3)O (Alk = Bun, Octn), probably by addition of the Sn-O bond to the carbonyl group. Mossbauer parameters suggest the occurrence of five-coordinated Sn, and polymeric structures with bridging three- coordinating oxygens are proposed. The assumption that C2SnO3 units with trigonal bipyramidal type structures are present is consistent with point-charge model rationalization of the quadrupole splitting. Infrared spectra are in keeping with the proposed structures, suggesting, inter alia, bent C Sn C skeletons, but the analysis of possible ν(Sn-O) modes does not provide conclusive evidence for t…

StereochemistryInfrared spectroscopyChloralZonal and meridionalQuadrupole splittingElemental formulaInorganic Chemistrychemistry.chemical_compoundTrigonal bipyramidal molecular geometryCrystallographychemistryMössbauer spectroscopyMaterials ChemistryPhysical and Theoretical ChemistryBenzeneInorganica Chimica Acta
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[Fe(TPT)(2/3){M(I)(CN)2}2]⋅nSolv (M(I) = Ag, Au): new bimetallic porous coordination polymers with spin-crossover properties.

2013

Two new heterobimetallic porous coordination polymers with the formula [Fe(TPT)2/3{MI(CN)2}2]¿nSolv (TPT=[(2,4,6-tris(4-pyridyl)-1,3,5-triazine]; MI=Ag (nSolv=0, 1¿MeOH, 2¿CH2Cl2), Au (nSolv=0, 2¿CH2Cl2)) have been synthesized and their crystal structures were determined at 120¿K and 293¿K by single-crystal X-ray analysis. These structures crystallized in the trigonal R-3m space group. The FeII ion resides at an inversion centre that defines a [FeN6] coordination core. Four dicyanometallate groups coordinate at the equatorial positions, whilst the axial positions are occupied by the TPT ligand. Each TPT ligand is centred in a ternary axis and bridges three crystallographically equivalent Fe…

StereochemistryIronCrystal structure010402 general chemistry01 natural sciencesCatalysismol structure spin crossover pyridyltriazine iron silver gold cyanideIonSpin crossoverMössbauer spectroscopyMolecule[CHIM.COOR]Chemical Sciences/Coordination chemistryBimetallic strippyridyltriazine iron silver gold cyanide prepn crystal structure010405 organic chemistryChemistryOrganic ChemistryGeneral ChemistrySelf-assemblySpin crossover0104 chemical sciencesCoordination polymersCrystallographyFISICA APLICADATernary operationPorositysilver gold bimetallic porous iron pyridyltriazine polymer spin crossoverNatural bond orbitalChemistry (Weinheim an der Bergstrasse, Germany)
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Application of palladium complexes bearing acyclic amino(hydrazido)carbene ligands as catalysts for copper-free Sonogashira cross-coupling

2015

Abstract Metal-mediated coupling of one isocyanide in cis-[PdCl2(CNR1)2] (R1 = C6H11 (Cy) 1, tBu 2, 2,6-Me2C6H3 (Xyl) 3, 2-Cl-6-MeC6H3 4) and various carbohydrazides R2CONHNH2 [R2 = Ph 5, 4-ClC6H4 6, 3-NO2C6H4 7, 4-NO2C6H4 8, 4-CH3C6H4 9, 3,4-(MeO)2C6H3 10, naphth-1-yl 11, fur-2-yl 12, 4-NO2C6H4CH2 13, Cy 14, 1-(4-fluorophenyl)-5-oxopyrrolidine-3-yl 15, (pyrrolidin-1-yl)C(O) 16, 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propane-1-yl 17, EtNHC(O) 18] or sulfohydrazides R3SO2NHNH2 [R3 = Ph 19, 4-MeC6H4 20] led to a series of (hydrazido)(amino)carbene complexes cis-[PdCl2{ C (NHNHX) N(H)R1}(CNR1)]; X = COR2, SO2R3 (21–48, isolated yields 60–96%). All prepared species were characterized by elemental…

StereochemistryIsocyanideArylchemistry.chemical_elementSonogashira couplingCopper-free Sonogashira couplingAcyclic diaminocarbenesNuclear magnetic resonance spectroscopyPalladium-(acyclic diminocarbene) catalystsMedicinal chemistryCatalysisCatalysischemistry.chemical_compoundchemistryCatalytic cycleMechanism of catalytic action of Pd-ADCsPhysical and Theoretical Chemistryta116CarbenePalladiumJournal of Catalysis
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Diphenyltin(IV) complexes of the 5-[(E)-2-(aryl)-1-diazenyl]quinolin-8-olates: Synthesis and multinuclear NMR, 119Sn Mössbauer, electrospray ionizati…

2006

Abstract A series of cis-bis{5-[(E)-2-(aryl)-1-diazenyl]quinolinolato}diphenyltin(IV) complexes have been synthesized and characterized by 1H, 13C, 119Sn NMR, ESI-MS, IR and 119mSn Mossbauer spectroscopic techniques in combination with elemental analysis. The structures of a ligand L6H (i.e., 5-[(E)-2-(4-ethoxyphenyl)-1-diazenyl]quinolin-8-ol) and three diphenyltin(IV) complexes, viz., Ph2Sn(L1)2 · (CH3)2CO (1), Ph2Sn(L4)2 (4) and Ph2Sn(L5)2 (5) (L = 5-[(E)-2-(aryl)-1-diazenyl]quinolin-8-ol: aryl = phenyl – (L1H); 4′-methylphenyl – (L4H) and 4′-bromophenyl – (L5H)) were determined by single crystal X-ray diffraction. In general, the complexes were found to adopt a distorted cis-octahedral a…

StereochemistryLigandArylElectrospray ionizationOrganic Chemistrychemistry.chemical_elementCrystal structureBiochemistryMedicinal chemistryInorganic ChemistrySolventchemistry.chemical_compoundchemistryMössbauer spectroscopyMaterials ChemistryPhysical and Theoretical ChemistryTinSingle crystalJournal of Organometallic Chemistry
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