Copper--zirconium (1/2) | 12019-28-2

• 分子结构分类: 无机化合物 - 均相金属化合物 - 均相过渡金属化合物
• 英文名称: Copper--zirconium (1/2)
• 英文别名: copper;zirconium
• CAS: 12019-28-2
• 化学式: CuZr₂
• 分子量: 245.994
• InChiKey: AKUUWPJPJALJQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.01
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  Copper--zirconium (1/2) 、 氢气 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  Temperature driven hydrogen-induced disproportionation of Zr2Cu

  摘要：

  The absorption of hydrogen by Zr2Cu was studied by the aid of the Zr2Cu-H phase diagram elaborated by Kadel and Weiss. It was found that Zr2Cu hydride was formed at ambient temperature after moderate hydrogen absorption. Hydrogen-induced disproportionation of Zr2Cu occurred at temperatures exceeding 550K. The unknown compound of the gamma phase reported by Kadel and Weiss was identified as Zr7Cu10. It was also found that the beta phase consisted of ZrCu and Zr hydride instead of Zr2CuHx,x=1.0-1.4. The disproportionation behavior was found to follow a different mechanism below and above 973 K. Below 973 K the disproportionation was found to proceed by the reaction sequence, Zr2Cu + H-2 -> Zr7Cu10 + ZrHx + H-2(gamma phase) -> Zr14Cu51 + ZrHx + H-2 (delta phase), and above 973K via the sequence, Zr2Cu + H-2 -> ZrCu + ZrHx + H-2(beta Phase) -> Zr7Cu10 + ZrHx + H-2(delta phase). The difference could be explained by the thermodynamic stability of ZrCu intermetallic compounds. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jallcom.2009.07.179
• 作为产物：
  描述：

  锆 、 铜 以 melt 为溶剂， 生成 Copper--zirconium (1/2)
  参考文献：
  名称：

  一些贵金属（Cu、Ag、Au）和过渡金属的二元合金的高温直接合成量热法热化学

  摘要：

  摘要 通过高温直接合成量热法在 1372 K 下测量了一些贵金属-过渡金属化合物的标准生成焓。报告了以下结果（以 kJ/mol 原子为单位）：Cu51Zr14，-24.3±2.2；Cu3Pd，-7.6±1.2；Cu51Hf14，-22.9±2.3；Cu3Pt，-10.8±1.1；AgTi，-1.6±2.4；AgTi2，-2.3±1.1；Ag2Y，-26.6±1.2；Au2Sc，-83.4±1.8；Au4Sc，-57.3±1.5；金锰，-25.3±1.7；Au2Y，-84.6±1.8；Au3Y，-69.1±1.9；Au3Pd，-7.9±1.9。将结果与通过 EMF、蒸气压和量热法获得的一些早期实验值进行比较。还将它们与 Miedema 和同事的预测值进行比较。我们将展示生成焓如何与过渡金属的原子序数相关的系统图。

  DOI：

  10.1016/s0925-8388(02)00983-0

文献信息

• Hydrogen absorption in the intermetallic compounds Zr2TM (TM=Cu, Ag and Au) with MoSi2-type structure (C11b)
  作者：Naruki Endo、Satoshi Kameoka、An Pang Tsai、Zou Lingling、Toshiya Hirata、Chikashi Nishimura

  DOI：10.1016/j.jallcom.2009.10.045

  日期：2010.2

  Abstract Hydrogen absorption in the intermetallic compounds Zr 2 TM (TM = Cu, Ag, Au) with MoSi 2 -type structure was characterized by differential scanning calorimetry (DSC) under hydrogen, hydrogen-storage capacity measurement and X-ray diffraction (XRD). The amount of heat for the exothermic peak in DSC due to hydrogen absorption and the maximum hydrogen-storage capacity increased in the order of

  摘要 采用氢差示扫描量热法(DSC)、储氢容量测量和X射线衍射(XRD)表征了具有MoSi 2 型结构的金属间化合物Zr 2 TM (TM = Cu、Ag、Au)中的吸氢。 . DSC 吸氢放热峰的热量和最大储氢能力按Zr 2 Cu > Zr 2 Ag ≫ Zr 2 Au 的顺序增加。XRD表明Zr 2 Cu和Zr 2 Ag可以分解成Cu或Ag和ZrH x ( x ∼ 2)，而Zr 2 Au可以与氢形成固溶体而不分解。基于Zr 2 TM 分解的估计焓变的幅度和/或符号，这些发现得到了很好的解释。
• Thermochemistry of some binary alloys of noble metals (Cu, Ag, Au) and transition metals by high temperature direct synthesis calorimetry
  作者：S.V. Meschel、O.J. Kleppa

  DOI：10.1016/s0925-8388(02)00983-0

  日期：2003.2

  Abstract The standard enthalpies of formation of some noble metal–transition metal compounds have been measured by high temperature direct synthesis calorimetry at 1372 K. The following results (in kJ/mol of atoms) are reported; Cu51Zr14, −24.3±2.2; Cu3Pd, −7.6±1.2; Cu51Hf14, −22.9±2.3; Cu3Pt, −10.8±1.1; AgTi, −1.6±2.4; AgTi2, −2.3±1.1; Ag2Y, −26.6±1.2; Au2Sc, −83.4±1.8; Au4Sc, −57.3±1.5; AuMn, −25

  摘要 通过高温直接合成量热法在 1372 K 下测量了一些贵金属-过渡金属化合物的标准生成焓。报告了以下结果（以 kJ/mol 原子为单位）：Cu51Zr14，-24.3±2.2；Cu3Pd，-7.6±1.2；Cu51Hf14，-22.9±2.3；Cu3Pt，-10.8±1.1；AgTi，-1.6±2.4；AgTi2，-2.3±1.1；Ag2Y，-26.6±1.2；Au2Sc，-83.4±1.8；Au4Sc，-57.3±1.5；金锰，-25.3±1.7；Au2Y，-84.6±1.8；Au3Y，-69.1±1.9；Au3Pd，-7.9±1.9。将结果与通过 EMF、蒸气压和量热法获得的一些早期实验值进行比较。还将它们与 Miedema 和同事的预测值进行比较。我们将展示生成焓如何与过渡金属的原子序数相关的系统图。
• Topological characterization of metallic glasses by neutron diffraction and RMC modeling
  作者：Toshiharu Fukunaga、Keiji Itoh、Toshiya Otomo、Kazuhiro Mori、Masaaki Sugiyama、Hidemi Kato、Masashi Hasegawa、Akihiko Hirata、Yoshihiko Hirotsu、Kiyoshi Aoki

  DOI：10.1016/j.physb.2006.05.061

  日期：2006.11

  TbFe2D3.8, TbNi2D2.4, CuZr2 and NiZr2 metallic glasses have been studied to elucidate the structural characteristics by taking advantage of neutron and X-ray diffraction and using the reverse Monte Carlo (RMC) modeling based on the diffraction data. Topologically, about 98% of D atoms occupy tetrahedral sites formed by metal atoms for TbFe2D3.8 and TbNi2D2.4 metallic glasses. The Volonoi analysis of the structure of CuZr2 and NiZr2 metallic glasses was carried out to elucidate the relationship between the stability of glassy state and the atomic configuration. The prismatic-like polyhedra dominate in NiZr2 metallic glass. In contrast, the icosahedron-like polyhedra faces are preferred for constructing the structure of CuZr2 metallic glass. (c) 2006 Elsevier B.V. All rights reserved.
• Amorphization by mechanical alloying: The role of mixtures of intermetallics
  作者：P.Y Lee、J Jang、C.C Koch

  DOI：10.1016/0022-5088(88)90369-4

  日期：1988.6
• Dickerson, Matthew B.; Snyder, Robert L.; Sandhage, Ken H., Journal of the American Ceramic Society, 2002, vol. 85, # 3, p. 730 - 732
  作者：Dickerson, Matthew B.、Snyder, Robert L.、Sandhage, Ken H.

  DOI：——

  日期：——