Search results for "Nuclear magnetic resonance"

showing 10 items of 1743 documents

Pressure-Induced Spin State Conversion in Antiferromagnetically Coupled Fe(II) Dinuclear Complexes

2001

The effect of pressure on the thermal dependence of the magnetic susceptibility has been investigated in the 2,2‘-bipyrimidine (bpm)-bridged iron(II) complexes of formula {[Fe(L)(NCX)2]2bpm} (X = S...

CrystallographyNuclear magnetic resonanceMaterials scienceSpin statesThermalMaterials ChemistryPhysical and Theoretical ChemistryMagnetic susceptibilitySurfaces Coatings and FilmsThe Journal of Physical Chemistry B
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Polymorphism and Pressure Driven Thermal Spin Crossover Phenomenon in [Fe(abpt)2(NCX)2] (X=S, and Se): Synthesis,Structure and Magnetic Properties

2002

The monomeric compounds [Fe(abpt 2(NCX)2(X = S (1), Se (2) and abpt = 4-amino- 3,5-bis(pyridin-2-yl)-1,2,4-triazole) have been synthesized and characterized. They crystallize in the monoclinic P21/n space group with a = 11.637(2) A, b = 9.8021(14) A, c = 12.9838(12) A, β = 101.126(14)°, and Z=2 for 1, and a= 11.601(2) A, b = 9.6666(14) A, c = 12.883(2) A, β = 101.449(10)°, and Z = 2 for 2. The unit cell contains a pair mononuclear [Fe(abpt)2(NCX)21 units related by a center of symmetry. Each iron atom, located at a molecular inversion center, is in a distorted octahedral environment. Four of the six nitrogen atoms coordinated to the Fe(II) ion belong to the pyridine-N(1) and triazole-N(2) r…

CrystallographyNuclear magnetic resonanceOctahedronChemistrySpin crossoverAtomSpin transitionAtmospheric temperature rangeMagnetic susceptibilityMonoclinic crystal systemIon
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Titelbild: Mixed Spin-State [HS-LS] Pairs in a Dinuclear Spin-Transition Complex: Confirmation by Variable-Temperature57Fe Mössbauer Spectroscopy (An…

2008

CrystallographyNuclear magnetic resonanceSpin statesChemistryMössbauer spectroscopySpin transitionGeneral MedicineAngewandte Chemie
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Cover Picture: Mixed Spin-State [HS-LS] Pairs in a Dinuclear Spin-Transition Complex: Confirmation by Variable-Temperature57Fe Mössbauer Spectroscopy…

2008

CrystallographyNuclear magnetic resonanceSpin statesSpin crossoverChemistryMössbauer spectroscopySpin transitionCover (algebra)General ChemistryCatalysisAngewandte Chemie International Edition
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ChemInform Abstract: Syntheses, Crystal Structures, and Solid State NMR Investigations of K4M2P6S25 and K3M2P5S18 (M: Ti, Sn).

2010

CrystallographySolid-state nuclear magnetic resonanceChemistryGeneral MedicineCrystal structureChemInform
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15N NMR studies of tautomerism

2012

The literature related to 15N NMR studies of tautomerism is updated and discussed. The 15N NMR data show that the technique is applicable for both liquid and solid state (both crystalline and amorphous) materials. Modern computational methods combined with experimental NMR data can aid in the chemical shift assignments especially in case of crystalline materials (so-called NMR crystallography). This review article is divided into chapters based on the different classes of compounds and a brief description of experimental and computational NMR techniques is also included.

CrystallographySolid-state nuclear magnetic resonanceChemistrySolid-stateFluorine-19 NMRNuclear magnetic resonance spectroscopyNuclear magnetic resonance crystallographyPhysical and Theoretical ChemistryTautomerNmr datata116Amorphous solidInternational Reviews in Physical Chemistry
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Spectroscopic Investigation of the System TeCl4/[NEt4]PF6 in Solution and the Crystal Structure of [NEt4]2[Te2Cl10].

2005

Solutions containing TeCl 4 and [NEt 4 ][PF 6 ] in CH 2 Cl 2 were investigated by means of UV/vis and NMR spectroscopy in order to study the complex chemistry of TeCl 4 with the [PF 6 ] - anion. The results show formation of [TeCl 5 ] - and strong interactions of [PF 6 ] - with a tellurium containing species, presumably [TeCl 3 ] + . The life time of the Te I V -PF 6 complex is long enough to give different signals in the 1 9 F NMR spectrum of a solution containing excess [PF 6 ] - . Even a fivefold excess of Cl - ions over [PF 6 ] - does hardly lead to a dissociation of [TeCl 3 ...PF 6 ]. Crystals of [NEt 4 ] 2 [Te 2 Cl 1 0 ] were obtained from a 4:1 solution of [NEt 4 ]PF 6 and TeCl 4 in …

CrystallographyStereochemistryChemistryAb initio quantum chemistry methodsHalogenchemistry.chemical_elementGeneral MedicineNuclear magnetic resonance spectroscopyCrystal structureTriclinic crystal systemTelluriumDissociation (chemistry)IonChemInform
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Unprecedented Hexa- and Undecanuclear Frameworks of Two New Tin(IV) Oxo Clusters Resulting from Partial Debenzylation Reactions

2010

A new and facile synthetic route to the known neutral cluster ((PhCH2)2SnO)6[((PhCH2)2SnOH)2- (CO3)]2 (2) as well as its reactivity toward trifluoromethanesulfonic acid (HO3SCF3, TfOH) are reported. The solid-state structure of the new solvate 2·6C7H8 has been determined by single-crystal X-ray diffraction. The core of 2 can be described as a pair of coplanar pentanuclear [(PhCH2)2SnO]5 ladders bridged at their ends by two carbonate groups. Successive additions of TfOH to a suspension of 2 in CD3CN were monitored by 119Sn{1H} NMR spectroscopy showing the transformation of the fingerprint of 2 (δ = −244, −246, −306 ppm), via new upfield signals, to a final broad resonance located at δ = −474…

CrystallographychemistryStereochemistryIonic bondingchemistry.chemical_elementReactivity (chemistry)General ChemistryCrystal structureNuclear magnetic resonance spectroscopyResonance (chemistry)TinHEXATrifluoromethanesulfonateZeitschrift für Naturforschung B
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1977

Solutions of chain- (PS-d3) and phenyl ring (PS-d5) deuterated polystyrenes in perdeuterated PS-d8 have been investigated with 1H and 2D NMR relaxation and wide line methods. The intra- and intermolecular parts of the 1H second moments at −100°C are 3,7 G2 and 2,0 G2, respectively, for PS-d3, and 14,7 G2 and ca. 0 G2, respectively, for PS-d5. The intermolecular contribution to the 1H spin lattice relaxation rate, determined at 55 MHz between 150°C and 250°C, is about one third of the total rate in PS-d3, and negligible in PS-d5. We suggest that this contribution is caused by rotational fluctuations of the intermolecular H H vectors. The intramolecular 1H- and 2D-relaxation rates indicate th…

Crystallographychemistry.chemical_compoundNuclear magnetic resonanceDeuteriumChemistryIntramolecular forcePolymer chemistryRelaxation (NMR)Intermolecular forceProton NMRSpin–lattice relaxationPhenyl groupTwo-dimensional nuclear magnetic resonance spectroscopyDie Makromolekulare Chemie
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The dianion of [2.2.2]paracyclophene; a 20 π-perimeter species?

1986

Abstract A new synthesis of [2.2.2]paracyclophene (1) is presented on reduction,(1) forms a stable dianion which is neither diatropic. nor paratropic. The apparent high symmetry of the dianion and the observed NMR chemical shifts are best explained by a rapid interconversion of a series of C 2-conformers.

Crystallographychemistry.chemical_compoundchemistryStereochemistryChemical shiftOrganic ChemistryDrug DiscoveryWittig reactionNuclear magnetic resonance spectroscopyBiochemistryCyclophaneTetrahedron
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