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Domercq, B., Devic, T., Fourmigue, M., Auban-Senzier, P. & Canadell, E. (2001) Hal center dot center dot center dot Hal interactions in a series of three isostructural salts of halogenated tetrathiafulvalenes. Contribution of the halogen atoms to the HOMO-HOMO overlap interactions. JOURNAL OF MATERIALS CHEMISTRY, 11 1570–1575. 
Added by: Richard Baschera (2017-03-01 08:48:24)
Type de référence: Article
DOI: {10.1039/b100103p}
Numéro d'identification (ISBN etc.): {0959-9428}
Clé BibTeX: Domercq{2001}
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Catégories: HORSIMN
Créateurs: Auban-Senzier, Canadell, Devic, Domercq, Fourmigue
Collection: {JOURNAL OF MATERIALS CHEMISTRY}
Consultations : 6/360
Indice de consultation : 1%
Indice de popularité : 0.25%
Résumé     
{The halogenated tetrathiafulvalenes, Br-2-EDT-TTF and I-2-EDT-TTF were prepared by the coupling route from the corresponding 4,5-dibromo- or 4,5-diiodo-1,3-dithiole-2-thione. In the isostructural series, (Br-2-EDT-TTF)(2)IBr2, (Br-2-EDT-TTF)(2)I-3 and (I-2-EDT-TTF)(2)I-3, noted Br-2/IBr2, Br-2/I-3 and I-2/I-3 respectively, short (3.42-3.60 Angstrom) and directional Hal . . . Hal interactions are identified between donor molecules and with the anions, stabilising rare beta' phases. These interactions play not only a structural role but also contribute to the electronic dispersion thanks to sizeable coefficients on the halogen atoms in the HOMOs of Br-2-EDT-TTF and I-2-EDT-TTF. The three salts behave as Mott insulators as reflected by a high room temperature conductivity (0.5 S cm(-1)) with an activation energy which increases in the order Br-2/IBr2 (730 K), Br-2/I-3 (1260 K), I-2/I-3 (1330 K) and a weak magnetic susceptibility, which decreases abruptly below 150 K with no sign of an antiferromagnetic ground state.}
Added by: Richard Baschera  
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