Synthesis, single crystal X-ray, and DFT study of new hybrid-ligand complex [Cu(hfac)2(Me3TTF-CH=CH-Pyr)] and new mixed-valence radical ion salt (Me3TTF-CH=CH-Pyr)2(PF6)3
Hanene Soukehal, Oussama Khaoua, Samira Zeroual, Noura Benbellat, Abdekrim Gouasmia, Stéphane Golhen
Topics & Concepts
ChemistryDensity functional theoryValence (chemistry)CrystallographyMonoclinic crystal systemTetrathiafulvaleneMoleculeCrystal structureMolecular orbitalSingle crystalComputational chemistryOrganic chemistryOrganic and Molecular Conductors ResearchMagnetism in coordination complexesCrystallography and molecular interactions