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首页> 外文期刊>Crystal growth & design >Polymorphism in Hybrid Organic-Inorganic Bilayered Magnetic Conductors (BEDT-TTF)(3)((FeCl4)-Cl-III)(2), BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene
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Polymorphism in Hybrid Organic-Inorganic Bilayered Magnetic Conductors (BEDT-TTF)(3)((FeCl4)-Cl-III)(2), BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene

机译:杂化有机-无机双层电磁导体(BEDT-TTF)(3)((FeCl4)-Cl-III)(2)中的多态性,BEDT-TTF =双(乙烯二硫代)四硫富瓦烯

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摘要

Two polymorphic hybrid organic-inorganic bilayered magnetic conductors (BEDT-TTF)(3)(FeCl4)(2) (I and II) (BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene) were obtained by the diffusion method. I crystallizes in a monoclinic system with cell parameters: a = 55.9187(7) angstrom, b = 6.7424(1) angstrom, c = 14.9057(3) angstrom, beta = 10 1.056(1)degrees, 5515.5(2) angstrom(3), Z = 4, and C2/c at 290 K, and it transforms to a triclinic system at 220 K: a = 13.4440(2) angstrom, b = 14.6761(2) angstrom, c = 28.1529(5) angstrom, alpha = 100.738(1)degrees, beta = 96.875(1)degrees, gamma = 90.017(1)degrees, V = 5416.8(2) angstrom(3), Z = 4 and P (1) over bar which is stable to 110 K. II crystallizes in a triclinic system with cell parameters: a = 6.7396(3) angstrom, b = 9.9640(5) angstrom, c = 21.132(1) angstrom, alpha = 79.536(2)degrees, beta = 81.032(2)degrees, gamma = 81.066(3)degrees, V = 1367.3(1) angstrom(3), Z = 1, and P (1) over bar 290 K. They both contain two donor layers having formal charge of BEDT-TTF+0.5 in layer-A and BEDT-TTF+1.0 in layer-B. The donor arrangements in layer-A are delta-type in I and beta'-type in II, while the donor arrangements in layer-B and anion arrangements in I and II are also different. Layer-A is separated from layer-B by FeCl4-. The energy band calculation indicates a Peierls-like metal-insulator transition in the transverse direction at 220 K in I (sigma(300K) = 120 S.cm(-1)), and a Mott insulating state in II (sigma(300K) = 10(-2) S.cm(-1) and E-alpha = 0.2 eV). The presence of pi-d interactions between donors and anions results in the magnetic anomalies observed at 4.8 K in I and 2.7 K in II.
机译:通过扩散法获得了两个多态杂化有机-无机双层磁导体(BEDT-TTF)(3)(FeCl4)(2)(I和II)(BEDT-TTF =双(亚乙基二硫代)四硫富瓦烯)。我在具有细胞参数的单斜晶系系统中结晶:a = 55.9187(7)埃,b = 6.7424(1)埃,c = 14.9057(3)埃,beta = 10 1.056(1)度,5515.5(2)埃(3 ),Z = 4,C2 / c在290 K时转换为三斜晶系:a = 13.4440(2)埃,b = 14.6761(2)埃,c = 28.1529(5)埃= 100.738(1)度,beta = 96.875(1)度,γ= 90.017(1)度,V = 5416.8(2)埃(3),Z = 4和P(1)在稳定至110 K的条上。II在具有细胞参数的三斜晶系​​系统中结晶:a = 6.7396(3)埃,b = 9.9640(5)埃,c = 21.132(1)埃,alpha = 79.536(2)度,beta = 81.032(2)度,在bar 290 K上的gamma = 81.066(3)度,V = 1367.3(1)埃(3),Z = 1和P(1)。它们都包含两个施主层,其正式电荷为BEDT-TTF + 0.5 in B层中的A层和BEDT-TTF + 1.0。 A层中的供体排列在I中为δ型,II中为β'型,而B层中的供体排列与I和II中的阴离子排列也不同。 A层通过FeCl4与B层分开。能带计算表明在I(sigma(300K)= 120 S.cm(-1))下在220 K处横向出现Peierls样的金属绝缘体转变,在II(sigma(300K))下出现莫特绝缘态= 10(-2)S.cm(-1)和E-alpha = 0.2 eV)。供体和阴离子之间存在pi-d相互作用,导致在I中4.8 K和II中2.7 K观察到磁异常。

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