C2Br2La2, 1s | 135257-95-3

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物
• 英文名称: C2Br2La2, 1s
• CAS: 135257-95-3
• 化学式: C₂Br₂La₂
• 分子量: 461.641
• InChiKey: FNZFPVWMDLWJLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.43
• 重原子数：
  6.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  lanthanum sesquicarbide 、 无水溴化镧 生成 C2Br2La2, 1s
  参考文献：
  名称：

  The Layered Lanthanum Carbide Halide Superconductors La₂C₂(X,X‘)₂ (X,X‘ = Cl, Br, I):  Neutron Powder Diffraction Characterization and Electronic Properties

  摘要：

  The superconducting properties of La2C2(X, X')(2)(X, X' = Cl, Br, I) are investigated. Three different samples of La2C2Br2, which are obtained under different synthesis conditions, show superconductivity at 7.03(5) K. La2C2I2 (T-c approximate to 1.7 K) exhibits slightly different transition temperatures for differently prepared samples. A total of five samples of La2C2(X, X')(2) were investigated by high resolution neutron powder diffraction from room temperature to 1.5 K. Rietveld refinements yield the structural parameters, in particular of the C atoms. These allow us to follow in detail the variation of the interatomic distance in the C-2 group. On the basis of the low temperature structural parameters, extended Huckel band structure calculations were performed and a band of low dispersion along the Gamma-N direction in the Brillouin zone was identified. We discuss correlations of structural and electronic properties with the superconducting transition temperatures of the La2C2(X, X')(2) phases.

  DOI：

  10.1021/jp984646d

文献信息

• Simon, Arndt; Mattausch, Hansjuergen; Eger, Roland, Angewandte Chemie, 1991, vol. 103, p. 1210 - 1211
  作者：Simon, Arndt、Mattausch, Hansjuergen、Eger, Roland、Kremer, Reinhard K.

  DOI：——

  日期：——
• Substitution Experiments on Superconducting La2C2X2 (X = Cl, Br, I)
  作者：K. Ahn、Hj. Mattausch、A. Simon

  DOI：10.1002/zaac.19976230197

  日期：——

  AbstractThe layered carbide bromide La2C2Br2 becomes superconducting at 6.2 K. We studied the matrix effect on Tc due to (isoelectronic) halogen substitution. Tc increases with the amount of substitution by chlorine to a maximum value of 7.2 K, and it decreases when Br− is partially substituted by I−. La2C2I2 itself is non‐superconducting down to 2 K. However, substitution of I− by 10% Cl− leads to superconductivity at 2.2 K.
• Superconductivity in layered lanthanum carbide halides: La2C2(X,X′)2 (X,X′=Cl, Br, I)
  作者：K Ahn、R.K Kremer、Hj Mattausch、A Simon

  DOI：10.1016/s0925-8388(00)00669-1

  日期：2000.5

  The superconducting properties of the layered lanthanum carbide halides La2C2X2 (X=Br, I) and mixed halides are investigated. These compounds show superconductivity at 7.03(5) for X=Br and at approximate to 1.7 K for X=I, respectively. Selected compositions were investigated using high-resolution neutron powder diffraction measurements from room temperature to 1.5 K. Rietveld refinements of the powder patterns yield the structural parameters, in particular of the C atoms. These allow us to follow in detail the variation of the interatomic distances in the C-2 group. The low-temperature structural parameters are taken as inputs to perform Extended Huckel band structure calculations which allow us to identify a band of low dispersion along the Gamma-N direction in the Brillouin zone. We discuss correlations of structural and electronic properties of the La2C2(X,X')(2) phase with the superconducting transition temperatures. (C) 2000 Elsevier Science S.A. All rights reserved.