Lutetium;phosphane

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 英文名称: Lutetium;phosphane
• 英文别名: lutetium;phosphane
• 化学式: LuP
• 分子量: 205.941
• InChiKey: ZHNSYKGBDUYDCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.06
• 重原子数：
  2
• 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

• 作为产物：
  描述：

  铜 、 锌 、 氢化镥 、 phosphorous 以 neat (no solvent) 为溶剂， 生成 Lutetium;phosphane 、
  参考文献：
  名称：

  Crystal and electronic structures of CaAl2Si2-type rare-earth copper zinc phosphides RECuZnP2 (RE=Pr, Nd, Gd–Tm, Lu)

  摘要：

  The quaternary rare-earth phosphides RECuZnP2 (RE=Pr, Nd, Gd-Tm, Lu) have been prepared by reaction of the elements at 900 degrees C, completing this versatile series which forms for nearly all RE metals. They adopt the trigonal CaAl2Si2-type structure (Pearson symbol hP5, space group P (3) over bar m1, Z=1), as confirmed by single-crystal X-ray diffraction analysis on ErCuZnP2 and powder X-ray diffraction analysis on the remaining members. The Cu and Zn atoms are assumed to be disordered over the single transition-metal site. Band structure calculations on a hypothetically ordered YCuZnP2 model suggest a semimetal, with a zero band gap between the valence and conduction bands. This electronic structure is supported by XPS valence band spectra for RECuZnP2 (RE=Gd-Er), in which the intensity drops off smoothly at the Fermi edge. The absence of a band gap permits the electron count to deviate from the precise value of 16 e(-) per formula unit, as demonstrated by the formation of a solid solution in GdCuxZn2-xP2 (1.0 <= x <= 1.3), while still retaining the CaAl2Si2-type structure. Because the Cu 2p XPS spectra indicate that the Cu atoms are always monovalent, the substitution of Cu for Zn leads to a decrease in electron count and a lowering of the Fermi level in the valence band. The magnetic susceptibility of RECuZnP2 (RE=Gd-Er), which obeys the Curie-Weiss law, confirms the presence of trivalent RE atoms. (C) 2010 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2010.11.001