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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...
Synthesis and single crystal X-ray structures of the first paramagnetic transition metal complexes containing chiral ethylenedithio-tetrathiafulvalene-oxazoline (EDT-TTF-OX) 1a–c and ethylenedithio-tetrathiafulvalene-thiomethyloxazoline 2 (EDT-TTF-(SMe)OX) ligands based on copper (II) and cobalt (II) are described. The racemic [EDT-TTF-OX][Cu(hfac) 2 ] complex 3a crystallizes in the triclinic...
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