Tetramethyl-Bis(ethylenedithio)-Tetrathiafulvalene (TM-BEDT-TTF) Revisited: Crystal Structures, Chiroptical Properties, Theoretical Calculations, and a Complete Series of Conducting Radical Cation Salts

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…

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

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.

Enantiopure Conducting Salts of Dimethylbis(ethylenedithio)tetrathiafulvalene (DM‐BEDT‐TTF) with the Hexachlororhenate(IV) Anion (Eur. J. Inorg. Chem. 24/2014)

Structural Diversity and Physical Properties of Paramagnetic Molecular Conductors Based on Bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) and the Tris(chloranilato)ferrate(III) Complex

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…

Structural, photophysical and magnetic properties of transition metal complexes based on the dipicolylamino-chloro-1,2,4,5-tetrazine ligand

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…

CCDC 983736: Experimental Crystal Structure Determination

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

CCDC 926043: Experimental Crystal Structure Determination

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

CCDC 1045096: Experimental Crystal Structure Determination

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

CCDC 926046: Experimental Crystal Structure Determination

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

CCDC 996584: Experimental Crystal Structure Determination

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

CCDC 996582: Experimental Crystal Structure Determination

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

CCDC 1045094: Experimental Crystal Structure Determination

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

CCDC 1045095: Experimental Crystal Structure Determination

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

CCDC 926042: Experimental Crystal Structure Determination

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

CCDC 926041: Experimental Crystal Structure Determination

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

CCDC 1045093: Experimental Crystal Structure Determination

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

CCDC 926044: Experimental Crystal Structure Determination

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

CCDC 983737: Experimental Crystal Structure Determination

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

CCDC 996583: Experimental Crystal Structure Determination

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

CCDC 1045097: Experimental Crystal Structure Determination

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

CCDC 926045: Experimental Crystal Structure Determination

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