Cs{(π-(3)-1.2-B9C2H11)2Cr} | 12373-83-0

• 英文名称: Cs{(π-(3)-1.2-B9C2H11)2Cr}
• CAS: 12373-83-0
• 化学式: C₄H₂₂B₁₈Cr*Cs
• 分子量: 449.718
• InChiKey: XVEYCXOJFSNBOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  双(亚乙基二硫醇)四硫代富瓦烯 、 Cs{(π-(3)-1.2-B9C2H11)2Cr} 在 H₂O₂ 作用下， 以 四氢呋喃 为溶剂， 以25%的产率得到(bis(ethylenedithio)tetrathiafulvalene)2(commo-[3,3'-Cr(1,2-C2B9H11)2])
  参考文献：
  名称：

  Synthesis, structures and physical properties of bis(ethylenedithio)tetrathiafulvalenium salts of paramagnetic metallacarborane anions

  摘要：

  Single phases of the bis(ethylenedithio)tetrathiafulvalenium (et(.+)) salts [et](2)[Cr(1,2-C2B9H11)(2)] 1 and [et](2)[Fe{1-SC4H3-1,2-C2B9H10}(2)] 2 (SC4H3 = thiophen-2-yl) were synthesised via chemical and electrochemical routes, respectively. The crystal structures of both salts feature alternating. layers of et units and metallacarborane anions. The packing motif of 1 is very similar to that of the beta'-[et](2)X salts {X = [ICl2](-) or [BrICl](-)}, with the rod-shaped [Cr(C2B9H11)(2)](-) anions functioning as paramagnetic analogues of the trihalide anions and the et units being linked by short intermolecular S ... S interactions (3.4-3.6 Angstrom) to form one-dimensional 'tapes' extending in the (1 0 0) direction. The et units,in 2 are packed more evenly. resulting in a two-dimensional honeycomb network of short intermolecular S ... S interactions (3.4-3.6 Angstrom) within each et layer. The [Fe(C2B9H10C4H3S)(2)](-) anions in 2 pack to form unusual double-layers in which the thiophene groups are oriented towards each other and away from the et layers, indicating that inter-et S ... S interactions are favoured over et-thiophene S ... S interactions. Both compounds 1 and 2 are semiconductors with complex temperature-dependent conductivities between ca. 75 and 280 K. Their conductivities at room temperature are ca. 2 x 10(-3) S cm(-1) (1, compressed pellet) and 5 x 10(-1) S cm(-1) (2, single crystals). The absence of metallic behaviour in 1;and 2 may be attributed in part to the loose packing of the et molecules. due to the large,size of the anions, in these compounds. The magnetic susceptibilities of 1 and 2 were fitted by the Curie-Weiss law between 25 and 300 K to give Weiss constants of -1.1 and +1.6 K respectively.

  DOI：

  10.1039/dt9950003221
• 作为产物：
  描述：

  三氯化铬 在 sodium dicarbollide^(1-) 、 CsCl 作用下， 以 四氢呋喃 为溶剂， 以69%的产率得到Cs{(π-(3)-1.2-B9C2H11)2Cr}
  参考文献：
  名称：

  Ruhle, Helmut W.; Hawthorne, M. Frederick, Inorganic Chemistry, 1968, vol. 7, # 11, p. 2279 - 2282

  摘要：

  DOI：

文献信息

• Synthesis and structural characterization of metallacarborane sandwich salts with tetrathiafulvalene (ttf) [M(C2B9H11)2 ][ttf] (M = Cr, Fe, Ni)
  作者：Jennifer M. Forward、D. Michael、P. Mingos、Thomas E. Müller、David J. Williams、Yaw-Kai Yan

  DOI：10.1016/0022-328x(94)80007-3

  日期：1994.3

  commo-[3,3′-M(1,2-C2B9H11)2]− (1, M  Cr; 2, M  Fe; 3, M  Ni) were synthesized for a study of their magnetic properties. They are complementary to the magnetic charge-transfer salts based on decamethylmetallocenes previously studied by others. X-Ray crystallographic analysis revealed that the molecular packing in 1 consists of alternating layers of ttf•+ radical cations and [Cr(C2B9H11)s2]− anions. In

  Tetrathiafulvalenium（TTF •+的metallacarborane阴离子）盐commo - [3,3'--M（1,2-C 2乙9 ħ 11）2 ] - （1，男铬; 2，男的Fe; 3，合成了MNi）以研究其磁性能。它们与以前由他人研究的基于十甲基金属茂的磁性电荷转移盐互补。X射线结晶学分析揭示了在所述的分子堆积1由TTF的交替层的•+自由基阳离子和[CR（C 2乙9 ħ 11）s 2 ] -阴离子。相反，同构的2和3的晶体结构包含相应金属碳硼烷阴离子的三维人字形网络，而TTf •+阳离子的堆叠二聚体占据了网络中的空腔。每个二聚体中完全遮盖的TTf •+自由基阳离子之间的平面间距为3.4，表明自由基阳离子之间存在显着的键合相互作用。在任何一种盐1–3中，分子间距离都不会短于范德华接触。在低至6 K的标题化合物上进行了可变温度磁化率测量。磁化率数据符合居里-魏斯定
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cr: Org.Verb., 1.2, page 134 - 136
  作者：

  DOI：——

  日期：——