钍四硝酸酯四水合物

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 锕系含氧阴离子化合物
• 中文名称: 钍四硝酸酯四水合物
• 英文名称: thorium nitrate pentahydrate
• 英文别名: thorium(4+);tetranitrate;tetrahydrate
• 化学式: 2H₂O*H₆N₄O₁₅Th
• 分子量: 570.134
• InChiKey: VAVIMIAZQDNXID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.26
• 重原子数：
  21
• 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：
  256
• 氢给体数：
  4
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  钍四硝酸酯四水合物 、 N,N-二异丙基异丁胺 以 乙醇 为溶剂， 以87%的产率得到
  参考文献：
  名称：

  Some new amide and phosphine oxide complexes of thorium and uranium tetranitrates

  摘要：

  DOI：

  10.1016/0022-5088(86)90151-7
• 作为产物：
  描述：

  水 、 硝酸 、 thorium dioxide 在 HF 作用下， 以 氢氟酸 、 硝酸 为溶剂， 生成 钍四硝酸酯四水合物
  参考文献：
  名称：

  EPR evidence for the restricted mobility of NO2 in gamma irradiated thorium nitrate pentahydrate Th(NO3)4·5H2O

  摘要：

  Electron paramagnetic resonance (EPR) studies were conducted on gamma irradiated polycrystalline sample of thorium nitrate pentahydrate, Th(NO3)(4)center dot 5H(2)O, in the temperature range of 100-300 K. The most prominent species with triplet hyperfine structure in the EPR spectrum was identified as NO2. The EPR spectrum gave evidence for the stabilization of NO2 in at least three different sites slightly differing in spin Hamiltonian parameters (Site(1) : g(x) = 2.0042, g(y) = 1.9911, g(z) = 2.0020, A(x) = 54.20G, A(y) = 48.50 G and A(z) = 65.25 G; Site(2): g(x) = 2.0042, g(y) = 1.9911, g(z) = 2.0020, A(x) = 54.20 G, A(y) = 48.50 G and A(z) = 67.85 G; Site(3): g(x) = 2.0045, g(y) =1.9911, g(z) = 2.0015, A(x) = 54.20 G, A(y) = 49.05 G and A(z) = 72.45G). The EPR spectra for Site(1) revealed molecular dynamics of NO2 from a slow motion region to fast motion region as the sample temperature was varied from 100 to 300 K. This led to a change in EPR spectrum from orthorhombic to axial, indicating preferred rotation of NO2 molecule about the O-O bond direction. However, the NO2 molecule at Site(2) was found to be rigid throughout the entire temperature range. The differences in the mobility of NO2 molecules occupying the two sites could be attributed to the fact that in one case NO2 was bonded to thorium or water and in the other case it was weakly bound. The NO2 bound to thorium through two oxygen atoms or bound to thorium on one side through one oxygen atom and hydrogen bonded to water on the other side remains rigid throughout the entire temperature range, while NO2 situated at interstitial sites or adsorbed on the surface exhibits mobility with increase in temperature above 100 K. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.02.031

文献信息

• Some new amide and phosphine oxide complexes of thorium and uranium tetranitrates
  作者：Abdul Ghany M Al-Daher、Kenneth W Bagnall、Gerard F Payne

  DOI：10.1016/0022-5088(86)90151-7

  日期：1986.1
• EPR evidence for the restricted mobility of NO2 in gamma irradiated thorium nitrate pentahydrate Th(NO3)4·5H2O
  作者：B. Rajeswari、R.M. Kadam、B.A. Dhawale、Y. Babu、V. Natarajan、S.V. Godbole

  DOI：10.1016/j.saa.2011.02.031

  日期：2011.8

  Electron paramagnetic resonance (EPR) studies were conducted on gamma irradiated polycrystalline sample of thorium nitrate pentahydrate, Th(NO3)(4)center dot 5H(2)O, in the temperature range of 100-300 K. The most prominent species with triplet hyperfine structure in the EPR spectrum was identified as NO2. The EPR spectrum gave evidence for the stabilization of NO2 in at least three different sites slightly differing in spin Hamiltonian parameters (Site(1) : g(x) = 2.0042, g(y) = 1.9911, g(z) = 2.0020, A(x) = 54.20G, A(y) = 48.50 G and A(z) = 65.25 G; Site(2): g(x) = 2.0042, g(y) = 1.9911, g(z) = 2.0020, A(x) = 54.20 G, A(y) = 48.50 G and A(z) = 67.85 G; Site(3): g(x) = 2.0045, g(y) =1.9911, g(z) = 2.0015, A(x) = 54.20 G, A(y) = 49.05 G and A(z) = 72.45G). The EPR spectra for Site(1) revealed molecular dynamics of NO2 from a slow motion region to fast motion region as the sample temperature was varied from 100 to 300 K. This led to a change in EPR spectrum from orthorhombic to axial, indicating preferred rotation of NO2 molecule about the O-O bond direction. However, the NO2 molecule at Site(2) was found to be rigid throughout the entire temperature range. The differences in the mobility of NO2 molecules occupying the two sites could be attributed to the fact that in one case NO2 was bonded to thorium or water and in the other case it was weakly bound. The NO2 bound to thorium through two oxygen atoms or bound to thorium on one side through one oxygen atom and hydrogen bonded to water on the other side remains rigid throughout the entire temperature range, while NO2 situated at interstitial sites or adsorbed on the surface exhibits mobility with increase in temperature above 100 K. (C) 2011 Elsevier B.V. All rights reserved.