Correlating conduction properties with the molecular symmetry: segregation of Z and E isomers in the charge-assisted, halogen-bonded cocrystal [(Z,E)-Me2I2TTF]2Br

Olivier Jeannin (1) , Enric Canadell (2) , Pascale Auban-Senzier (3) , Marc Fourmigué (1)

1 ISCR - Institut des Sciences Chimiques de Rennes
2 ICMA-CSIC - Instituto de Ciencia de Materiales de Aragón [Saragoza, España]
3 LPS - Laboratoire de Physique des Solides

The Z and E isomers of the iodinated TTF derivative (Z,E)-Me2I2-TTF co-crystallize in a mixed-valence salt with Br(-) anions, and are segregated into Z and E stacks, each of them with a different charge localization pattern, which also revealed charge-assisted halogen bonding

Keywords: 62.20.D; 61.72.Dd; 61.72.J-; 61.80.Jh; 61.05.cp; PACS; defects; elastic strain; XRD; UO2; radiation effects

Domains: Chemical Sciences

Olivier Jeannin, Enric Canadell, Pascale Auban-Senzier, Marc Fourmigué. Correlating conduction properties with the molecular symmetry: segregation of Z and E isomers in the charge-assisted, halogen-bonded cocrystal [(Z,E)-Me2I2TTF]2Br. Chemical Communications, 2016, 52 (2), pp.308-311. ⟨10.1039/c5cc08176a⟩. ⟨hal-01224513⟩