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• W2044356169 endingPage "941" @default.
• W2044356169 startingPage "941" @default.
• W2044356169 abstract "Charge-transfer (CT)π complexes between tetrathiafulvalene (TTF, donor) and tetracyanoethylene (TCNE, acceptor) have been studied. Two polymorphs (α and β) were obtained depending on the solvent used. X-Ray analysis has shown that both polymorphs are monoclinic with space group P21/n, are present in dimeric form [(TTF)2(TCNE)2] and possess very similar molecular dimensions. The crystal structure of both polymorphs is composed of mixed stacks of [TTF]2 and [TCNE]2 dimers in a (TTF)2—(TCNE)2—(TTF)2—(TCNE)2 one-dimensional arrangement. The interaction between TTF and TCNE is very strong in both polymorphs, as indicated by the low interplanar spacing (α phase = 3.13 Å, β phase = 3.15 Å) and low dihedral angle (α phase = 1.26°, β phase = 2.20°) but they differ for the hydrogen-bonding network and lamellar sheets. A method based on the C—S bond lengths provides for these two CT complexes a degree of ionicity or charge transfer (δ) of 0.54 e, in good agreement with that obtained using IR frequencies (δ= 0.5 ± 0.1 e) and very similar to that of TTF–TCNQ (δ= 0.59 e). Nevertheless, in contrast with TTF–TCNQ, these polymorphs exhibit a very high resistivity (≈ 109Ω cm) that may be explained by the dimerization process and by the mixed-stack formation." @default.
• W2044356169 created "2016-06-24" @default.
• W2044356169 creator A5071205807 @default.
• W2044356169 creator A5079277647 @default.
• W2044356169 date "1996-01-01" @default.
• W2044356169 modified "2023-10-17" @default.
• W2044356169 title "Structure of two polymorphs of the TTF-TCNE charge-transfer complex and the degree of ionicity" @default.
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• W2044356169 doi "https://doi.org/10.1039/jm9960600941" @default.
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