New organic superconductors beta-(BDA-TTP)2X [BDA-TTP + 2,5-bis(1,3-dithian-2ylidene)-1,3,4,6-tetrathiapentalene; X(-) = SbF6(-), AsF6(-), and PF6(-)].
New organic superconductors beta-(BDA-TTP)2X [BDA-TTP + 2,5-bis(1,3-dithian-2ylidene)-1,3,4,6-tetrathiapentalene; X(-) = SbF6(-), AsF6(-), and PF6(-)].
复制标题
新型有机超导体β-(BDA-TTP)2X [BDA-TTP 2,5-bis(1,3-dithian-2ylidene)-1,3,4,6-tetrathiapentalene；
DOI：
10.1021/ja002290p
复制
发表时间：
2001
影响因子：
15
通讯作者：
Koichi Kikuchi
中科院分区：
文献类型：
--
作者：
J. Yamada;Maki Watanabe;H. Akutsu;S. Nakatsuji;H. Nishikawa;I. Ikemoto;Koichi Kikuchi
报道了一种新型π电子给体2，5-双（1，3-二噻烷-2-亚基）-1，3，4，6-四硫杂环戊二烯（BDA-TTP）的合成、电化学性质和分子结构。与迄今已知的提供有机超导体的四烷富瓦烯π-供体相比，该供体仅包含双稠合的1，3-二硫杂环戊烯-2-亚基单元作为π-电子系统，但产生一系列常压超导体β-（BDA-TTP）2X [X = SbF 6（磁性T（c）= 6.9K，电阻T（c）= 7.5K）、AsF 6（磁性T（c）= 5.9K，电阻T（c）= 5.8K）和PF 6（磁性T（c）= 5.9K）]，它们是同构的。这些超导体的施主层上计算的分子间重叠积分的值建议一个二维（2D）的电子结构与松散的施主包装。紧束缚能带计算也表明这些超导体具有二维能带色散关系和闭合的费米面。
The synthesis, electrochemical properties, and molecular structure of a new pi-electron donor, 2,5-bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene (BDA-TTP), is described. In contrast to the hitherto-known tetrachalcogenafulvalene pi-donors providing organic superconductors, this donor contains only the bis-fused 1,3-dithiole-2-ylidene unit as a pi-electron system, yet produces a series of ambient-pressure superconductors beta-(BDA-TTP)2X [X = SbF6 (magnetic T(c) = 6.9 K, resistive T(c) = 7.5 K), AsF6 (magnetic T(c) = 5.9 K, resistive T(c) = 5.8 K), and PF6 (magnetic T(c) = 5.9 K)], which are isostructural. The values of the intermolecular overlap integrals calculated on the donor layers of these superconductors suggest a two-dimensional (2D) electronic structure with loose donor packing. Tight-binding band calculations also indicate that these superconductors have the 2D band dispersion relations and closed Fermi surfaces.