Synthèse et résolution structurale d’un nouveau sel à transfert de charge associant l’anion organique ABTS2– et son radical ABTS•– avec le cation inorganique La3+ : La3(ABTS)5(H2O)31

Annaig Denis , Pierre Palvadeau , Philippe Molinié , Kamal Boubekeur
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Abstract

By the electrocrystallization technique, it has been possible to synthesize a new charge transfer salt, associating the organic anion ABTS2–, the radical anion ABTS (ABTS is the commercial name of the diammonium salt of the 2-2’ azinobis–3 ethyl benzothiazoline sulfonate), and the inorganic cation La3+. From single crystal X-ray diffraction data, the crystal structure was solved at 200 K. La3(ABTS)5(H2O)31 belongs to the triclinic symmetry space group P1¯ with the cell parameters: a = 18.342(4) Å, b = 17.720 (4) Å, c = 20.394(4) Å, α = 87.97(3)°, β = 79.08(3)°, γ = 85.21(3)°, V = 6 850(2) Å3 and Z = 2. The crystalline network reveals a two-dimensional character based on an alternation of organic and inorganic layers. A valence bond calculation corresponds to a lanthanum in a (+III) oxidation state. This compound is a mixed anionic valence salt, and in accordance with the charge equilibrium, its formulation must be written (La3+)3(ABTS2–)4(ABTS•–)1(H2O)31.

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有机阴离子ABTS2 -及其自由基ABTS•-与无机阳离子La3+: La3(ABTS)5(H2O)31相结合的新型电荷转移盐的合成和结构解
通过电结晶技术,结合有机阴离子ABTS2 -、自由基阴离子ABTS - (ABTS是2-2′氮杂氮- 3乙基苯并噻唑啉磺酸盐二铵盐的商品名称)和无机阳离子La3+,合成了一种新的电荷转移盐。根据单晶x射线衍射数据,在200 K时解出了晶体结构。La3 (abt) 5 (H2O) 31日属于三斜对称空间groupP1¯细胞参数:a = 18.342 (4) a, b = 17.720 (4) a, c = 20.394(4),α= 87.97(3)°,β= 79.08(3)°,γ= 85.21(3)°,850 V = 6 (2) A3和Z = 2。晶体网络揭示了基于有机和无机层交替的二维特征。价键计算对应于(+III)氧化态的镧。该化合物为混合阴离子价盐,根据电荷平衡,其分子式应为(La3+)3(ABTS2 -)4(ABTS•-)1(H2O)31。
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