Author: Thomas Cauchy

0000000001305584

AUTHOR

Thomas Cauchy

showing 7 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

researchProduct

CCDC 926043: Experimental Crystal Structure Determination

2013

Related Article: Flavia Pop, Steeve Laroussi, Thomas Cauchy, Carlos J. Gomez-Garcia, John D. Wallis,Narcis Avarvari|2013|Chirality|25|466|doi:10.1002/chir.22210

Space GroupCrystallographyCrystal SystemCrystal Structuretetramethyl-bis(ethylenedithio)-tetrathiafulvaleneCell ParametersExperimental 3D Coordinates

researchProduct

CCDC 926046: Experimental Crystal Structure Determination

2013

Related Article: Flavia Pop, Steeve Laroussi, Thomas Cauchy, Carlos J. Gomez-Garcia, John D. Wallis,Narcis Avarvari|2013|Chirality|25|466|doi:10.1002/chir.22210

Space GroupCrystallographyCrystal SystemCrystal Structure(rac)-tetramethyl-bis(ethylenedithio)-tetrathiafulvalene triiodideCell ParametersExperimental 3D Coordinates

researchProduct

CCDC 926042: Experimental Crystal Structure Determination

2013

Related Article: Flavia Pop, Steeve Laroussi, Thomas Cauchy, Carlos J. Gomez-Garcia, John D. Wallis,Narcis Avarvari|2013|Chirality|25|466|doi:10.1002/chir.22210

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates(R)-tetramethyl-bis(ethylenedithio)-tetrathiafulvalene

researchProduct

CCDC 926041: Experimental Crystal Structure Determination

2013

Related Article: Flavia Pop, Steeve Laroussi, Thomas Cauchy, Carlos J. Gomez-Garcia, John D. Wallis,Narcis Avarvari|2013|Chirality|25|466|doi:10.1002/chir.22210

Space GroupCrystallography(S)-tetramethyl-bis(ethylenedithio)-tetrathiafulvaleneCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates

researchProduct

CCDC 926044: Experimental Crystal Structure Determination

2013

Related Article: Flavia Pop, Steeve Laroussi, Thomas Cauchy, Carlos J. Gomez-Garcia, John D. Wallis,Narcis Avarvari|2013|Chirality|25|466|doi:10.1002/chir.22210

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(S)-tetramethyl-bis(ethylenedithio)-tetrathiafulvalene triiodideExperimental 3D Coordinates

researchProduct

CCDC 926045: Experimental Crystal Structure Determination

2013

Related Article: Flavia Pop, Steeve Laroussi, Thomas Cauchy, Carlos J. Gomez-Garcia, John D. Wallis,Narcis Avarvari|2013|Chirality|25|466|doi:10.1002/chir.22210

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(R)-tetramethyl-bis(ethylenedithio)-tetrathiafulvalene triiodideExperimental 3D Coordinates

researchProduct

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