azanide;lanthanum(3+) | 13708-71-9

• 英文名称: azanide;lanthanum(3+)
• CAS: 13708-71-9
• 化学式: H₆LaN₃
• 分子量: 186.973
• InChiKey: YBVWGOZGNQLWDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.77
• 重原子数：
  4.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.06
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  lanthanum fluoride 、 azanide;lanthanum(3+) 、 silicon diimide 在 barium hydride 作用下， 反应 54.75h， 生成
  参考文献：
  名称：

  Non‐Condensed (Oxo)Nitridosilicates: La ₃ ­[SiN ₄ ]F and the Polymorph o‐La ₃ ­[SiN ₃ O]O

  摘要：

  AbstractThe isotypic compounds La3[SiN4]F and La3[SiN3O]O were synthesized in a radio‐frequency furnace at 1600 °C. The crystal structures [Pnma (no. 62), Z = 4; La3(SiN4)F: a = 9.970(3), b = 7.697(2), c = 6.897(2) Å, V = 529.3(3) Å3; La3(SiON3)O: a = 9.950(2), b = 7.6160(15), c = 6.9080(14) Å, V = 523.48(18) Å3] were elucidated from single‐crystal X‐ray diffraction data and corroborated by Rietveld refinement, lattice‐energy calculations (Madelung part of lattice energy, MAPLE) and Raman/FTIR spectroscopy. Both compounds are homeotypic with Na2Pr[GeO4]OH forming a network of vertex‐sharing FLa6/OLa6 octahedra, whose voids are filled with non‐condensed SiN4/SiN3O tetrahedra. o‐La3[SiON3]O is the orthorhombic polymorph of this compound, which probably represents the high‐temperasture modification, whereas the tetragonal polymorph t‐La3[SiON3]O represents the low‐temperature modification. While the space group of the t‐polymorph [I4/mcm (no. 140)] differs from the new La3[SiN4]F and o‐La3[SiN3O]O, the crystal structure contains the same linking pattern.

  DOI：

  10.1002/ejic.201500644