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Article Dans Une Revue Crystal Growth & Design Année : 2011

Strong Iodine... Oxygen Interactions in Molecular Conductors Incorporating Sulfonate Anions

Résumé

Strong I***O halogen bonds are identified in a series of cation radical salts of the donor molecule 3,4-diiodo-3′,4′-ethylenedithiotetrathiafulvalene (EDT-TTFI2, 1) with ClO4- and various organic sulfonates, such as racemic camphor sulfonate, 1,5- and 2,6-naphtalene bis(sulfonate), and 2,6-anthracene bis(sulfonate). In all compounds, oxygen atoms of sulfonate moieties appear thus as powerful halogen bonding acceptors with I***O distance much shorter than the van der Waals contacts (down to 77%). A full charge transfer (ρ = 1) is found in (1)ClO4 and (1)2[2,6-Napth(SO3)2], with a dimerization of the stacks of 1*+ cation radicals and a diamagnetic behavior. The mixed-valence (ρ = 1/2) salts (1)2[(rac)-camph(SO3)]*Solv, (1)5[2,6-Anthr(SO3)2], and (1)4[1,5-Napht(SO3)2] form conducting stacks with semiconducting behavior. Band structure calculations and magnetic measurements performed on (1)4[1,5-Napht(SO3)2] show a strongly one-dimensional electronic structure, at the origin of the semiconducting behavior.

Domaines

Chimie organique
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Dates et versions

hal-00658519 , version 1 (10-01-2012)

Identifiants

Citer

Kyung-Soon Shin, Mariya Brezgunova, Olivier Jeannin, Thierry Roisnel, Franck Camerel, et al.. Strong Iodine... Oxygen Interactions in Molecular Conductors Incorporating Sulfonate Anions. Crystal Growth & Design, 2011, 11 (12), pp.5337-5345. ⟨10.1021/cg20094r⟩. ⟨hal-00658519⟩
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