Search results for "tetrathiafulvalene"

showing 10 items of 159 documents

CCDC 1945944: Experimental Crystal Structure Determination

2019

Related Article: Suchithra Ashoka Sahadevan, Alexandre Abhervé, Noemi Monni, Pascale Auban-Senzier, Joan Cano, Francesc Lloret, Miguel Julve, Hengbo Cui, Reizo Kato, Enric Canadell, Maria Laura Mercuri, Narcis Avarvari|2019|Inorg.Chem.|58|15359|doi:10.1021/acs.inorgchem.9b02404

Space GroupCrystallographytetrakis(bis(ethylenedithio)tetrathiafulvalene radical) tris(chlorocyananilato)-iron(iii) trihydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 612660: Experimental Crystal Structure Determination

2009

Related Article: E.W.Reinheimer, J.R.Galan-Mascaros, K.R.Dunbar|2009|Synth.Met.|159|45|doi:10.1016/j.synthmet.2008.07.017

Space GroupCrystallographytris(11'33'-Tetrathiafulvalene) bis(247-trinitro-9H-fluoren-9-one)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

Radical cation salts of BEDT-TTF, enantiopure tetramethyl-BEDT-TTF, and TTF-Oxazoline (TTF-Ox) donors with the homoleptic TRISPHAT anion

2011

International audience; The synthesis and crystal structures of five radical cation salts based on the organic donors bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF), racemic ethylenedithio-methyl-oxazoline-tetrathiafulvalene (EDT-TTF-MeOx) and the enantiopure (S,S,S,S) and (R,R,R,R) tetramethyl-bis(ethylenedithio)tetrathiafulvalene (TMBEDT-TTF) and the D3-symmetric anion tris(tetrachlorobenzenediolato)phosphate(V) (TRISPHAT) are reported. The salts are formulated as [BEDT-TTF][(rac)-TRISPHAT]·CH2Cl2 (1), [BEDT-TTF][(rac)-TRISPHAT]·2CH3CN (2), [(rac)-EDT-TTF-Ox][(rac)-TRISPHAT]·CH3CN (3), [(S,S,S,S)-TMBEDT-TTF][(rac)-TRISPHAT]·2CH3CN (4), and [(R,R,R,R)-TMBEDT-TTF][(rac)-TRISPHAT]·2CH3CN (…

Stereochemistry02 engineering and technologyOxazolineCrystal structure010402 general chemistry01 natural sciencesMedicinal chemistryCatalysislaw.inventionchemistry.chemical_compoundTRISPHATlawMaterials ChemistryHomolepticElectron paramagnetic resonanceGeneral Chemistry021001 nanoscience & nanotechnology0104 chemical sciences3. Good health[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryEnantiopure drugRadical ionchemistryddc:5400210 nano-technologyTetrathiafulvaleneNew Journal of Chemistry
researchProduct

The Series of Molecular Conductors and Superconductors ET4[AFe(C2O4)3]·PhX (ET = bis(ethylenedithio)tetrathiafulvalene; (C2O4)2– = oxalate; A+ = H3O+…

2011

An extensive series of radical salts formed by the organic donor bis(ethylenedithio)tetrathiafulvalene (ET), the paramagnetic tris(oxalato)ferrate(III) anion [Fe(C(2)O(4))(3)](3-), and halobenzene guest molecules has been synthesized and characterized. The change of the halogen atom in this series has allowed the study of the effect of the size and charge polarization on the crystal structures and physical properties while keeping the geometry of the guest molecule. The general formula of the salts is ET(4)[A(I)Fe(C(2)O(4))(3)]·G with A/G = H(3)O(+)/PhF (1); H(3)O(+)/PhCl (2); H(3)O(+)/PhBr (3), and K(+)/PhI (4), (crystal data at room temperature: (1) monoclinic, space group C2/c with a = 1…

StereochemistryChemistryCrystal structureZero field splittingTriclinic crystal systemInorganic ChemistryCrystalCrystallographyParamagnetismchemistry.chemical_compoundHalobenzenePhysical and Theoretical ChemistryTetrathiafulvaleneMonoclinic crystal systemInorganic Chemistry
researchProduct

Molecular materials with conducting and magnetic properties based on ET and [ M(tdas)2]x-dithiolenes

2004

Two hybrid molecular materials showing a combination of magnetic and conducting properties, the charge-transfer (ET) 2 [Fe(tdas) 2 ] (1) and (ET)Ni(tdas) 2 (2), (ET=bis(ethylenedithio) tetrathiafulvalene; M=Fe, Ni; tdas=l,2,5-thiadiazole-3,4-dithiolate) salts, are characterized by vibrational (IR and Raman) and UV-VIS-NIR spectroscopies. These studies have proved to be effective and diagnostic tools in identifying the oxidation state (partial or integer) and the packing pattern (dimers or segregated stacks) of the ET donor only, since no v(C=C) group vibration sensitive to the charge of M(tdas) 2 complexes has been observed. This is ascribed to the extensive electron-delocalization inside t…

StereochemistryChemistryIntermolecular forceGeneral Physics and AstronomyRing (chemistry)Extended Hückel methodCrystallographysymbols.namesakechemistry.chemical_compoundElectrical resistivity and conductivityOxidation stateMolecular vibrationsymbolsRaman spectroscopyTetrathiafulvaleneJournal de Physique IV (Proceedings)
researchProduct

Synthesis and structure of charge transfer salts of tetrathiafulvalene (TTF) and tetramethyl-TTF with 2,4,7-trinitro and 2,4,5,7-tetranitro-9-fluoren…

2009

Charge transfer salts of tetrathiafulvalene (TTF) and tetramethyltetrathiafulvalene (TMTTF) with the organic acceptors 2,4,7-trinitro-9-fluorenone and 2,4,5,7-tetranitro-9-fluorenone have been prepared and characterized. The compounds (TTF)(TENF) (1), (TTF)3(TRNF)2 (2) and (TMTTF)(TRNF) (3) contain mixed stacks of alternating TTF and nitrofluorenone units. Surprisingly, the degree of charge transfer that occurs in these salts is not controlled solely by the redox potentials of the building blocks, but apparently also by the most effective intermolecular interactions in the solid, as determined from the crystal struc- tures obtained. These three compounds exhibit poor electron delocalization…

StereochemistryMechanical EngineeringIntermolecular forceMetals and AlloysElectron delocalizationCharge (physics)Crystal structureCondensed Matter PhysicsRedoxElectronic Optical and Magnetic MaterialsCrystalchemistry.chemical_compoundCrystallographychemistryMechanics of MaterialsMaterials ChemistryDiamagnetismTetrathiafulvaleneSynthetic Metals
researchProduct

Highly Conjugatedp-Quinonoidπ-Extended Tetrathiafulvalene Derivatives: A Class of Highly Distorted Electron Donors

2004

A new class of pi-extended TTF-type electron donors (11 a-c) has been synthesized by Wittig-Horner olefination of bianthrone (9) with 1,3-dithiole phosphonate esters (10 a-c). In cyclic voltammetry experiments, donors 11 a-c reveal a single, electrochemically irreversible oxidation-yielding the corresponding dicationic products-at relatively low oxidation potentials (approximately 0.7-0.8 V). Theoretical calculations, performed at the DFT level (B3 P86/6-31 G*), predict a highly-folded C(2h) structure for 11 a. In the ground state, the molecule adopts a double saddle-like conformation to compensate the steric hindrance. The calculations suggest that the intramolecular charge transfer associ…

Steric effectsChemistryOrganic ChemistryGeneral ChemistryConjugated systemPhotochemistryCatalysisDicationchemistry.chemical_compoundRadical ionIntramolecular forceMoleculeHOMO/LUMOTetrathiafulvaleneChemistry - A European Journal
researchProduct

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
researchProduct

New magnetic conductors and superconductors based on BEDT-TTF and BEDS-TTF

2005

Abstract Here we present our last results in the search for multifunctionality in conducting molecular materials obtained by combining paramagnetic molecular complexes with organic donors to produce paramagnetic molecular metals and superconductors. The structural and physical characterization of two new molecular paramagnetic superconductors ET 4 [H 3 OM(C 2 O 4 ) 3 ].PhBr (M III  = Cr and Fe) are presented (ET = BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene). These salts present a superconductor transition at T c  = 1.5 and 4.0 K, respectively and very anisotropic critical fields H c2a ≈ H c2b ≈0.5 T and H C2C ≈ 8 T for the Fe derivative. We will also present the structural and physica…

SuperconductivityCondensed matter physicsMechanical EngineeringMetals and AlloysCrystal structureCondensed Matter PhysicsElectronic Optical and Magnetic MaterialsMetalchemistry.chemical_compoundParamagnetismCrystallographychemistryMechanics of MaterialsElectrical resistivity and conductivityvisual_artMaterials Chemistryvisual_art.visual_art_mediumCritical fieldDerivative (chemistry)TetrathiafulvaleneSynthetic Metals
researchProduct

A novel paramagnetic molecular superconductor formed by bis(ethylenedithio)tetrathiafulvalene, tris(oxalato)ferrate(iii) anions and bromobenzene as g…

2005

The new paramagnetic molecular superconductor ET4[(H3O)Fe(C2O4)3]·C6H5Br (1) (Tc = 4.0 K) contains layers of superconducting ET donors alternating with paramagnetic hexagonal layers formed by (H3O)+, [Fe(C2O4)3]3− and guest C6H5Br molecules located in the hexagonal cavities. Conductivity measurements show metallic behavior from room temperature with a minimum in the resistivity at ca. 50 K followed by a smooth increase and a sharp drop in the resistivity with an onset at 4.0 K and a zero resistance at ca. 1.0 K. Magnetoresistance measurements indicate that Hc1 is about 7 mT and that Hc2 is very anisotropic (Hc2⊥ ≥ 5.5 T and Hc2|| ≈ 0.5 T). Magnetic susceptibility measurements show the expec…

SuperconductivityCondensed matter physicsSpin statesMagnetoresistanceGeneral ChemistryMagnetic susceptibilityParamagnetismchemistry.chemical_compoundCrystallographyTransition metalchemistryMeissner effectMaterials ChemistryTetrathiafulvaleneJ. Mater. Chem.
researchProduct