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• W1987203261 abstract "The preparation, crystal structures, EHT band calculation and optical properties of two new charge transfer salts, namely (DIET)2[Fe(bpca)(CN)3] (1) and (DIEDO)2[Fe(bpca)(CN)3] (2), where bpca = bis(2-pyridylcarbonyl)amide anion, DIET = diiodoethylenedithotetrathiavalene and DIEDO = diiodoethylenedioxotetrathiavalene are reported. The magnetic properties of 2 and those of the low-spin iron(III) precursor of formula (PPh4)[Fe(bpca)(CN)3]·H2O (3) were also investigated in the temperature range 1.9–205 K. Crystal data; (1): monoclinic P21, a = 8.8238(2)Å, b = 13.2891(3) Å, c = 18.5042(5) Å, β = 91.115(1)°, Z = 2, R = 0.0710 for 7021 independent reflections with I > 2 σ(I) and (2): Monoclinic P21/c, a = 8.6870(1) Å, b = 12.6122(2) Å, c = 36.0277(11) Å, β = 90.380(5)°, Z = 4, R = 0.0602 for 4633 independent reflections with I > 2σ(I). The crystal structures for both compounds consist of alternating organic and inorganic layers. Compounds 1 and 2 exhibit semiconductive behavior. Simple tight-binding band calculations indicate quasi one- (1) and two-dimensional (2) electronic band structures. The magnetic properties of 2 compared to that of the low-spin iron(III) precursor 3 (which was used as a blank) reveal the occurrence of a relative large antiferromagnetic interaction between the DIEDO radical units, however, below 30 K, the magnetic behavior of 2 is indistinguishable from 3. To cite this article: L Ouahab et al., C. R. Chimie 8 (2005). Nous décrivons la synthèse, les études structurales, les calculs de bandes et les propriétés optiques de deux nouveaux sels à transfert de charges (DIET)2[Fe(bpca)(CN)3] (1) et (DIEDO)2[Fe(bpca)(CN)3] (2) avec bpca l’anion bis(2-pyridylcarbonyl)amide, DIET = diiodoéthylènedithotétrathiavalène et DIEDO = diiodoéthylènedioxotétrathiavalène. Les études magnétiques entre 1,9 et 205 K de 2 et du précurseur ferrique à bas spin (PPh4)[Fe(bpca)(CN)3]·H2O (3) sont également présentées. Données cristallographiques (1): monoclinique P21, a = 8,8238(2)Å, b = 13,2891(3) Å, c = 18,5042(5) Å, β = 91,115(1)°, Z = 2, R = 0,0710 pour 7021 réflexions indépendantes avec I > 2 σ(I) et (2) : Monoclinique P21/c, a = 8,6870(1) Å, b = 12,6122(2) Å, c = 36,0277(11) Å, β = 90,380(5), Z = 4, R = 0,0602 pour 4633 réflexions indépendantes avec I > 2σ(I). La structure cristalline de chaque composé montre une alternance de couches organique et inorganique. Chacun a un comportement semi-conducteur. Les calculs montrent une structure de bande quasi-monodimensionnelle pour 1 et bidimensionnelle pour 2. La comparaison des propriétés magnétiques de 2 et du précurseur ferrique bas spin utilisé comme référence montre une interaction antiferromagnétique forte entre les radicaux DIEDO, bien que, en dessous de 30 K, les deux comportements des deux matériaux soient identiques. Pour citer cet article: L Ouahab et al., C. R. Chimie 8 (2005)." @default.
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• W1987203261 date "2005-08-01" @default.
• W1987203261 modified "2023-10-17" @default.
• W1987203261 title "Charge transfer salts containing a paramagnetic cyano-complex and iodine substituted organic donor involving –I(donor)···N(anion)-interactions" @default.
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• W1987203261 doi "https://doi.org/10.1016/j.crci.2004.11.009" @default.
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