0000000001301545

AUTHOR

Flavia Pop

showing 21 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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Enantiopure Conducting Salts of Dimethylbis(ethylenedithio)tetrathiafulvalene (DM‐BEDT‐TTF) with the Hexachlororhenate(IV) Anion

2014

Invited for the cover of this issue is the group of Narcis Avarvari (CIMI team) at the Laboratory MOLTECH-Anjou, UMR 6200 CNRS – Universite d'Angers, France. The cover image shows the enantiopure tetrathiafulvalene precursors used for the preparation of chiral radical cation conducting salts, together with an artwork of their packing diagrams and the suggested mirror image relationship between them.

Inorganic ChemistryCrystallographychemistry.chemical_compoundEnantiopure drugRadical ionChemistryInorganic chemistryChirality (chemistry)TetrathiafulvaleneIonEuropean Journal of Inorganic Chemistry
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Enantiopure Conducting Salts of Dimethylbis(ethylenedithio)tetrathiafulvalene (DM‐BEDT‐TTF) with the Hexachlororhenate(IV) Anion (Eur. J. Inorg. Chem…

2014

Inorganic Chemistrychemistry.chemical_compoundEnantiopure drugchemistryStereochemistryPolymer chemistrychemistry.chemical_elementRheniumChirality (chemistry)TetrathiafulvaleneIonEuropean Journal of Inorganic Chemistry
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Structural Diversity and Physical Properties of Paramagnetic Molecular Conductors Based on Bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) and the T…

2014

International audience; Electrocrystallization of bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) in the presence of the tris(chloranilato)ferrate(III) [Fe(Cl2An)3]3– paramagnetic chiral anion in different stoichiometric ratios and solvent mixtures afforded three different hybrid systems formulated as [BEDT-TTF]3[Fe(Cl2An)3]·3CH2Cl2·H2O (1), δ-[BEDT-TTF]5[Fe(Cl2An)3]·4H2O (2), and α‴-[BEDT-TTF]18[Fe(Cl2An)3]3·3CH2Cl2·6H2O (3). Compound 1 presents an unusual structure without the typical alternating organic and inorganic layers, whereas compounds 2 and 3show a segregated organic–inorganic crystal structure where layers formed by Λ and Δ enantiomers of the paramagnetic complex, together with…

TrisChemistryInorganic chemistryCrystal structureConductivityInorganic ChemistrySolventCrystallographychemistry.chemical_compoundParamagnetismMolecule[CHIM]Chemical SciencesPhysical and Theoretical ChemistryStoichiometryTetrathiafulvalene
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Structural, photophysical and magnetic properties of transition metal complexes based on the dipicolylamino-chloro-1,2,4,5-tetrazine ligand

2015

International audience; The ligand 3-chloro-6-dipicolylamino-1,2,4,5-tetrazine (Cl-TTZ-dipica) 1, prepared by the direct reaction between 3,6-dichloro-1,2,4,5-tetrazine and di(2-picolyl)-amine, afforded a series of four neutral transition metal complexes formulated as [Cl-TTZ-dipica-MCl2]2, with M = Zn(II), Cd(II), Mn(II) and Co(II), when reacted with the corresponding metal chlorides. The dinuclear structure of the isostructural complexes was disclosed by single crystal X-ray analysis, clearly indicating the formation of [MII–(μ-Cl)2MII] motifs and the involvement of the amino nitrogen atom in semi-coordination with the metal centers, thus leading to distorted octahedral coordination geome…

010405 organic chemistryChemistryLigandStereochemistrySubstituentSupramolecular chemistry010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryMetalchemistry.chemical_compoundTetrazineCrystallographyTransition metalvisual_artIntramolecular forceddc:540visual_art.visual_art_medium[CHIM]Chemical Sciences[CHIM.COOR]Chemical Sciences/Coordination chemistryIsostructuralComputingMilieux_MISCELLANEOUSDALTON TRANSACTIONS
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CCDC 983736: Experimental Crystal Structure Determination

2014

Related Article: Flavia Pop, Magali Allain, Pascale Auban-Senzier, José Martínez-Lillo, Francesc Lloret, Miguel Julve, Enric Canadell, Narcis Avarvari|2014|Eur.J.Inorg.Chem.||3855|doi:10.1002/ejic.201400125

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatesbis((SS)-2-(56-dihydro[13]dithiolo[45-b][14]dithiin-2-ylidene)-56-dimethyl-56-dihydro[13]dithiolo[45-b][14]dithiin-4-ium) bis((SS)-2-(56-dihydro[13]dithiolo[45-b][14]dithiin-2-ylidene)-56-dimethyl-56-dihydro[13]dithiolo[45-b][14]dithiine) hexachloro-rhenium(iv) NN-dimethylformamide solvate
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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
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CCDC 1045096: Experimental Crystal Structure Determination

2015

Related Article: Iuliia Nazarenko, Flavia Pop, Qinchao Sun, Andreas Hauser, Francesc Lloret, Miguel Julve, Abdelkrim El-Ghayoury, Narcis Avarvari|2015|Dalton Trans.|44|8855|doi:10.1039/C5DT00550G

Space GroupCrystallographyCrystal Systembis(mu-chloro)-dichloro-bis(6-chloro-NN-bis((pyridin-2-yl)methyl)-1245-tetrazin-3-amine)-di-manganese(ii)Crystal StructureCell ParametersExperimental 3D Coordinates
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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
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CCDC 996584: Experimental Crystal Structure Determination

2014

Related Article: Matteo Atzori, Flavia Pop, Pascale Auban-Senzier, Carlos J. Gómez-García , Enric Canadell, Flavia Artizzu, Angela Serpe, Paola Deplano, Narcis Avarvari, and Maria Laura Mercuri|2014|Inorg.Chem.|53|7028|doi:10.1021/ic501001r

hexakis(alpha'''-2-(56-Dihydro[13]dithiolo[45-b][14]dithiin-2-ylidene)-56-dihydro[13]dithiolo[45-b][14]dithiine) tris(36-dichloro-45-dioxocyclohexa-26-diene-12-diolato)-iron(iii) dichloromethane solvate dihydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 996582: Experimental Crystal Structure Determination

2014

Related Article: Matteo Atzori, Flavia Pop, Pascale Auban-Senzier, Carlos J. Gómez-García , Enric Canadell, Flavia Artizzu, Angela Serpe, Paola Deplano, Narcis Avarvari, and Maria Laura Mercuri|2014|Inorg.Chem.|53|7028|doi:10.1021/ic501001r

tris(2-(56-Dihydro[13]dithiolo[45-b][14]dithiin-2-ylidene)-56-dihydro[13]dithiolo[45-b][14]dithiin-1-ium) tris(36-dichloro-45-dioxocyclohexa-26-diene-12-diolato)-iron(iii) dichloromethane solvate monohydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1045094: Experimental Crystal Structure Determination

2015

Related Article: Iuliia Nazarenko, Flavia Pop, Qinchao Sun, Andreas Hauser, Francesc Lloret, Miguel Julve, Abdelkrim El-Ghayoury, Narcis Avarvari|2015|Dalton Trans.|44|8855|doi:10.1039/C5DT00550G

Space GroupCrystallographydichloro-(6-chloro-NN-bis((pyridin-2-yl)methyl)-1245-tetrazin-3-amine)-zinc(ii)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1045095: Experimental Crystal Structure Determination

2015

Related Article: Iuliia Nazarenko, Flavia Pop, Qinchao Sun, Andreas Hauser, Francesc Lloret, Miguel Julve, Abdelkrim El-Ghayoury, Narcis Avarvari|2015|Dalton Trans.|44|8855|doi:10.1039/C5DT00550G

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-chloro)-dichloro-bis(6-chloro-NN-bis(pyridin-2-ylmethyl)-1245-tetrazin-3-amine)-di-cadmium(ii)Experimental 3D Coordinates
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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
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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
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CCDC 1045093: Experimental Crystal Structure Determination

2015

Related Article: Iuliia Nazarenko, Flavia Pop, Qinchao Sun, Andreas Hauser, Francesc Lloret, Miguel Julve, Abdelkrim El-Ghayoury, Narcis Avarvari|2015|Dalton Trans.|44|8855|doi:10.1039/C5DT00550G

Space GroupCrystallography6-chloro-NN-bis(pyridin-2-ylmethyl)-1245-tetrazin-3-amineCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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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
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CCDC 983737: Experimental Crystal Structure Determination

2014

Related Article: Flavia Pop, Magali Allain, Pascale Auban-Senzier, José Martínez-Lillo, Francesc Lloret, Miguel Julve, Enric Canadell, Narcis Avarvari|2014|Eur.J.Inorg.Chem.||3855|doi:10.1002/ejic.201400125

bis((RR)-2-(56-dihydro[13]dithiolo[45-b][14]dithiin-2-ylidene)-56-dimethyl-56-dihydro[13]dithiolo[45-b][14]dithiin-4-ium) bis((RR)-2-(56-dihydro[13]dithiolo[45-b][14]dithiin-2-ylidene)-56-dimethyl-56-dihydro[13]dithiolo[45-b][14]dithiine) hexachloro-rhenium(iv) NN-dimethylformamide solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 996583: Experimental Crystal Structure Determination

2014

Related Article: Matteo Atzori, Flavia Pop, Pascale Auban-Senzier, Carlos J. Gómez-García , Enric Canadell, Flavia Artizzu, Angela Serpe, Paola Deplano, Narcis Avarvari, and Maria Laura Mercuri|2014|Inorg.Chem.|53|7028|doi:10.1021/ic501001r

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterspentakis(delta-2-(56-Dihydro[13]dithiolo[45-b][14]dithiin-2-ylidene)-56-dihydro[13]dithiolo[45-b][14]dithiine) tris(36-dichloro-45-dioxocyclohexa-26-diene-12-diolato)-iron(iii) tetrahydrateExperimental 3D Coordinates
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CCDC 1045097: Experimental Crystal Structure Determination

2015

Related Article: Iuliia Nazarenko, Flavia Pop, Qinchao Sun, Andreas Hauser, Francesc Lloret, Miguel Julve, Abdelkrim El-Ghayoury, Narcis Avarvari|2015|Dalton Trans.|44|8855|doi:10.1039/C5DT00550G

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-chloro)-dichloro-bis(6-chloro-NN-bis((pyridin-2-yl)methyl)-1245-tetrazin-3-amine)-di-cobalt(ii)Experimental 3D Coordinates
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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
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