Author: John D. Wallis

0000000001305585

AUTHOR

John D. Wallis

showing 9 related works from this author

Tetramethyl-Bis(ethylenedithio)-Tetrathiafulvalene (TM-BEDT-TTF) Revisited: Crystal Structures, Chiroptical Properties, Theoretical Calculations, and…

2013

The (S,S,S,S) and (R,R,R,R) enantiomers of tetramethyl-bis(ethylenedithio)-tetrathiafulvalene (TM-BEDT-TTF) show equatorial conformation for the four methyl groups in the solid state, according to the single-crystal X-ray analyses. Theoretical calculations at the Density Functional Theory (DFT) and time-dependent (TD) DFT levels indicate higher gas phase stability for the axial conformer than the equatorial one by 1.25kcal center dot mole-1 and allow the assignment of the UV-vis and circular dichroism transitions. A complete series of radical cation salts of 1:1 stoichiometry with the triiodide anion I3- was obtained by electrocrystallization of both enantiopure and racemic forms of the don…

Pharmacology010405 organic chemistryOrganic ChemistryCrystal structure010402 general chemistry01 natural sciencesCatalysis3. Good health0104 chemical sciencesAnalytical Chemistrychemistry.chemical_compoundCrystallographyEnantiopure drugchemistryRadical ionComputational chemistryDrug DiscoveryDensity functional theoryTriiodideChirality (chemistry)Conformational isomerismSpectroscopyTetrathiafulvaleneChirality

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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

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TTF charge transfer salts containing cyanometallate anions [M(phen)(CN)4]− (M=Cr or Fe; phen=1,10-phenanthroline)

2006

Abstract Two new charge transfer salts of TTF with the counter anions [M(phen)(CN) 4 ] − (phen = 1,10-phenanthroline, M = Cr ( I ) and Fe ( II )) are described. The structures consist of alternating stacks of dimerised TTF + cations and [M(phen)(CN) 4 ] − anions and they are linked together by many short S⋯S contacts and hydrogen bonds. Within the organic stack, two dimerised TTF + cations are arranged in a slipped face-to-face mode with short intra-dimer and long inter-dimer S⋯S distances. Strong antiferromagnetic exchange was found in the TTF + dimers. Conductivity measurements show that compound I is a semiconductor.

Hydrogen bondPhenanthrolineInorganic chemistryCharge (physics)Crystal structureConductivityInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryMaterials ChemistryAntiferromagnetismPhysical and Theoretical ChemistryTetrathiafulvaleneInorganica Chimica Acta

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