Palladium--titanium (1/2) | 12165-83-2

• 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: Palladium--titanium (1/2)
• 英文别名: palladium;titanium
• CAS: 12165-83-2
• 化学式: PdTi₂
• 分子量: 202.18
• InChiKey: BBOUKHSDVRLAGY-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：

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

  Comparison of hydrogen diffusion in Ti2PdHx with the behavior for Ti2CuHx and Zr2PdHx

  摘要：

  DOI：

  10.1016/0022-5088(91)90186-8
• 作为产物：
  描述：

  钯 、 四氢化物钛 以 solid 为溶剂， 生成 Palladium--titanium (1/2)
  参考文献：
  名称：

  Pd-Ti双金属化合物：使用x射线光电子能谱和x射线吸收近边缘结构的电子结构研究。

  摘要：

  We studied the core-level binding-energy shifts and the valence-band behavior of Pd3Ti and PdTi2 alloys using x-ray photoelectron spectroscopy (XPS) and x-ray-absorption near-edge structure (XANES). The observed Pd core-level shifts in the alloys, relative to the pure metal, were not consistent with the electronegativity predictions. It is proposed that upon alloying there is an increase in the number of sp-like conduction electrons and a decrease in the number of d electrons at the Pd site. This electron redistribution at the noble-metal site in the alloy results in a small net charge flow between Pd and Ti, in the direction in accord with electronegativity predictions. Pd L3-edge and Ti K-edge XANES provide further evidence of electron redistribution upon alloying. Net charge transfer at the Pd site of PdTi2 has been estimated to be 0.29+/-0.02 electron counts on the basis of a charge compensation model, results from XPS binding-energy shift, and XANES white-line areas. The observed Pd valence-band narrowing and shifts to a higher binding energy are also explained in terms of dilution and charge redistribution.

  DOI：

  10.1103/physrevb.48.7836

文献信息

• Pd-Ti bimetallics: A study of the electronic structure using x-ray photoelectron spectroscopy and x-ray-absorption near-edge structure
  作者：A. Bzowski、T. K. Sham

  DOI：10.1103/physrevb.48.7836

  日期：——

  We studied the core-level binding-energy shifts and the valence-band behavior of Pd3Ti and PdTi2 alloys using x-ray photoelectron spectroscopy (XPS) and x-ray-absorption near-edge structure (XANES). The observed Pd core-level shifts in the alloys, relative to the pure metal, were not consistent with the electronegativity predictions. It is proposed that upon alloying there is an increase in the number of sp-like conduction electrons and a decrease in the number of d electrons at the Pd site. This electron redistribution at the noble-metal site in the alloy results in a small net charge flow between Pd and Ti, in the direction in accord with electronegativity predictions. Pd L3-edge and Ti K-edge XANES provide further evidence of electron redistribution upon alloying. Net charge transfer at the Pd site of PdTi2 has been estimated to be 0.29+/-0.02 electron counts on the basis of a charge compensation model, results from XPS binding-energy shift, and XANES white-line areas. The observed Pd valence-band narrowing and shifts to a higher binding energy are also explained in terms of dilution and charge redistribution.
• Comparison of hydrogen diffusion in Ti2PdHx with the behavior for Ti2CuHx and Zr2PdHx
  作者：R.C. Bowman、A. Attalla、G.C. Abell、J.S. Cantrell、A.J. Maeland

  DOI：10.1016/0022-5088(91)90186-8

  日期：1991.8