thorium oxide sulfide

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 锕系有机物
• 英文名称: thorium oxide sulfide
• 英文别名: thorium oxysulfide；Sulfane;thorium;hydrate；sulfane;thorium;hydrate
• 化学式: OSTh
• 分子量: 280.103
• InChiKey: XXSJAMMKENJYSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.71
• 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：
  2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  thorium oxide sulfide 在 H₂ 作用下， 以 neat (no solvent) 为溶剂， 以0%的产率得到thorium monoxide
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Th: MVol., 55, page 200 - 202

  摘要：

  DOI：
• 作为产物：
  描述：

  在 O₂ 作用下， 生成 thorium oxide sulfide
  参考文献：
  名称：

  Stocks, K.; Eulenberger, G.; Hahn, H., Zeitschrift für anorganische und allgemeine Chemie

  摘要：

  DOI：

文献信息

• Facile Oxide to Chalcogenide Conversion for Actinides Using the Boron–Chalcogen Mixture Method
  作者：Logan S. Breton、Vladislav V. Klepov、Hans-Conrad zur Loye

  DOI：10.1021/jacs.0c06483

  日期：2020.8.19

  functions as an "oxygen sponge" to remove oxygen from an oxide precursor and where the elemental chalcogen effects transformation of the oxide precursor into an oxygen-free chalcogenide reagent. The boron oxide can be separated from the reaction mixture that is left to react to form the desired chalcogenide product. Several syntheses are presented that demonstrate the broad functionality of the technique

  锕系硫属化物对位于软配体配位环境中的锕系元素中 5f 电子行为的基础研究很重要。由于锕系元素对氧表现出极高的亲和力，因此合成不含氧化物杂质的相纯锕系元素硫属化物材料是一项巨大的挑战，而且需要无氧起始材料的可用性和使用。在此，我们报告了一种新方法，即硼 - 硫属元素混合物 (BCM) 法，该方法基于使用硼 - 硫属元素混合物合成相纯铀硫属元素化物，其中硼充当“氧气海绵”以去除氧气来自氧化物前体并且其中元素硫族元素影响氧化物前体向无氧硫族化物试剂的转变。氧化硼可以从反应混合物中分离出来，反应混合物使其反应形成所需的硫属化物产物。介绍了几种合成方法，展示了该技术的广泛功能，并讨论了显示潜在驱动力的热力学计算。具体而言，制备了三类硫属化物，包括新的（稀土硫化铀和碱金属硫代磷酸钍）和先前报道的化合物以验证该方法：二元铀和硫化钍、固态反应中的氧化物到硫化物转化，以及助焊剂晶体生长反应中锕系硫属化物的原
• Heat capacity and crystal field model for the uranium and thorium oxychalcogenides AnOY (An = Th, U - Y = S, Se)
  作者：G. Amoretti、A. Blaise、J.M. Collard、R.O.A. Hall、M.J. Mortimer、R. Troć

  DOI：10.1016/0304-8853(84)90340-8

  日期：1984.12

  Abstract Heat capacity of the oxychalcogenides UOS and UOSe (low temperature antiferromagnets) has been measured as well as heat capacity of the non-magnetic isomorphous ThOS and ThOSe. From these data, values of the entropy of ordering (close to R ln 2) and Schottky contributions have been calculated for the uraniumcompounds. These results as well as previously observed magnetic properties are interpreted

  摘要 氧硫属化物 UOS 和 UOSe（低温反铁磁体）的热容量以及非磁性同晶 ThOS 和 ThOSe 的热容量已被测量。根据这些数据，已经计算出铀化合物的有序熵值（接近 R ln 2）和肖特基贡献。这些结果以及先前观察到的磁性在 U 4+ 离子的点电荷晶体场模型中得到解释。该模型已扩展到 UOTe。模型中考虑的电荷 - 要么仅限于第一个相邻多面体 - 要么扩展到整个晶格。
• Duboin, A., Annales de Chimie et de Physique, 1909, vol. 17, p. 354 - 364
  作者：Duboin, A.

  DOI：——

  日期：——
• High-pressure X-ray diffraction study of ThOS and UOSe by synchrotron radiation
  作者：M. Gensini、E. Gering、U. Benedict、L. Gerward、J.Staun Olsen、F. Hulliger

  DOI：10.1016/0022-5088(91)90250-8

  日期：1991.8

  High-pressure X-ray diffraction studies were performed on ThOS up to 43.3 GPa and on UOSe up to 47.5 GPa, at room temperature, using a diamond anvil cell and synchrotron radiation. The tetragonal structure (P4/nmm) of these compounds was retained over the whole pressure range. The bulk modulus B0 and its pressure derivative B0' were determined for each compound.
• Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies of Five Members of the MAn₂Q₅Family: SrU₂S₅, BaU₂Se₅, PbU₂S₅, BaTh₂S₅, and BaU₂Te₅
  作者：Jai Prakash、Mariya S. Tarasenko、Adel Mesbah、Sébastien Lebègue、Christos D. Malliakas、James A. Ibers

  DOI：10.1021/ic501795w

  日期：2014.11.3

  Five compounds of the MAn(2)Q(5) family, namely, SrU2S5, BaU2Se5, PbU2S5, BaTh2S5, and BaU2Te5, have been synthesized by high-temperature solid-state reactions. The crystal structures of these compounds were determined by single-crystal X-ray diffraction studies. SrU2S5, BaU2Se5, PbU2S5, and BaTh2S5 crystallize in the PbU2Se5 structure type in space group C(2)h(5)P(21)/c of the monoclinic system, whereas BaU2Te5 adopts the (NH4)Pb2Br5 structure type in space group D(4)h(18)I(4/mcm) of the tetragonal system. There are no QQ bonds in these structures, so the formulas charge balance as M2+(An(2)(4+)Q(5)(2). The An atoms in the monoclinic structure are seven- or eight-coordinated by Q atoms; the U atoms in the tetragonal structure are eight-coordinated. The M atoms in the monoclinic structure are coordinated to either eight or nine Q atoms, depending on the monoclinic beta angle; the M atoms in the tetragonal structure are 10-coordinated. Resistivity studies on single crystals of SrU2S5, BaU2Se5, and PbU2S5 show metallic behavior with resistivities of 0.24, 10, and 3.3 mO.cm, respectively, at 298 K. Spin-polarized density functional theory in the generalized gradient approximation applied to the four U compounds suggests that they are ferromagnetic. In each compound, the density of states of one spin channel is found to be finite at the Fermi level, whereas there is a gap in the density of states of the other spin channel; this is characteristic of a half-metal.