sodium monothiophosphate

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 碱金属含氧阴离子化合物
• 英文名称: sodium monothiophosphate
• 英文别名: sodium monothiophosphate Na3PO3S, α；Natriummonothiophosphat；Sodium;thiophosphate
• 化学式: 3Na*O₃PS
• 分子量: 180.007
• InChiKey: JOPKAHXTKVCZHV-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -5.7
• 重原子数：
  6
• 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：
  101
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  sodium monothiophosphate 在 air 作用下， 以 neat (no solvent, solid phase) 为溶剂， 生成 sodium pyrophosphate 、 sodium sulfate
  参考文献：
  名称：

  Phase Transitions and Second-Harmonic Generation in Sodium Monothiophosphate

  摘要：

  Oxythiophosphate compounds, which contain anions comprised of oxidized phosphorus bound to oxygen and sulfur, are scarce and, in general, poorly characterized. Although alpha-Na3PO3S has been known for over 60 years, little has been revealed about this compound. Here we present thermal analysis and second-harmonic-generat on (SHG) efficiency of alpha-Na3PO3S. Details about its transformation to the high-temperature beta phase are discussed. Under vacuum, o.-Na3PO3S undergoes one endothermic event at 553 degrees C upon heating and two exothermic events at 504 and 467 degrees C upon cooling. beta-Na3PO3S can be trapped upon quenching Na3PO3S from high temperature. We have observed that the phase converts back to the alpha phase at room temperature. Interestingly, relative humidity has been determined to catalyze this phase transformation. alpha-Na3PO3S oxidizes at 315 degrees C in air to produce Na4P2O7 and Na2SO4. Upon exposure to 1064-nm incident radiation, noncentrosymmetric alpha-Na3PO3S produces an SHG efficiency 200 times that of alpha-quartz and is nonphase-matchable (type 1).

  DOI：

  10.1021/ic0520216
• 作为产物：
  描述：

  sodium hydroxide 、 三氯硫磷 以 水 为溶剂， 生成 sodium monothiophosphate
  参考文献：
  名称：

  An in situ time-of-flight neutron powder diffraction study of the humidity-induced phase transition in sodium monothiophosphate

  摘要：

  Anhydrous beta-Na3PO3S, obtained by rapid cooling, has been observed to convert to the more thermodynamically stable, anhydrous alpha-Na3PO3S upon exposure to a humid atmosphere. Though water plays a critical role in this polymorphic transformation, it is absent in both the initial and final materials. In situ time-of-flight neutron powder diffraction was used to track the progress of this transition as a function of time. Diffraction data were acquired using the Intense Pulsed Neutron Source (IPNS) at Argonne National Laboratory. An empirical whole pattern fitting method was used to determine the polymorphic phase composition over time. The resulting data were evaluated using several solid-state kinetic models. The kinetics of this transition has been determined to be best described by either one-or two-dimensional diffusion. The significance of these models with respect to the physical phenomenon is discussed. (c) 2007 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2007.05.011

文献信息

• An in situ time-of-flight neutron powder diffraction study of the humidity-induced phase transition in sodium monothiophosphate
  作者：Nathan J. Takas、Jennifer A. Aitken

  DOI：10.1016/j.jssc.2007.05.011

  日期：2007.7

  Anhydrous beta-Na3PO3S, obtained by rapid cooling, has been observed to convert to the more thermodynamically stable, anhydrous alpha-Na3PO3S upon exposure to a humid atmosphere. Though water plays a critical role in this polymorphic transformation, it is absent in both the initial and final materials. In situ time-of-flight neutron powder diffraction was used to track the progress of this transition as a function of time. Diffraction data were acquired using the Intense Pulsed Neutron Source (IPNS) at Argonne National Laboratory. An empirical whole pattern fitting method was used to determine the polymorphic phase composition over time. The resulting data were evaluated using several solid-state kinetic models. The kinetics of this transition has been determined to be best described by either one-or two-dimensional diffusion. The significance of these models with respect to the physical phenomenon is discussed. (c) 2007 Elsevier Inc. All rights reserved.
• A simple aqueous metathesis reaction yields new lanthanide monothiophosphates
  作者：Nathan J. Takas、Lauren E. Slomka、Xiaocheng Yang、Nancy Giles、Jennifer A. Aitken

  DOI：10.1016/j.jssc.2008.07.035

  日期：2008.11

  This paper describes the synthesis and characterization of two, new rare earth monothiophosphate materials, LaPO3S center dot xH(2)O and NdPO3S center dot yH(2)O, and their properties in comparison to the corresponding orthophosphates prepared by a similar aqueous metathesis reaction. Each of these new materials was found to exist in an amorphous phase similar to a corresponding orthophosphate mineral. The new rhabdophane-type oxythiophosphates were found to display reversible dehydration and rehydration under mild conditions. The materials were found to be thermally unstable. Disproportionation was found to occur at less than 450 degrees under vacuum. Sulfur is lost during hearing in air between 450 and 650 degrees C, according to thermogravimetric analysis (TGA) experiments, yielding the orthophosphate. The monothiophosphate hydrates display broad photoluminescence in the visible under excitation by a 325 nm laser. The compounds were also analyzed using differential thermal analysis, FT-IR and UV/vis/NIR spectroscopy. (C) 2008 Elsevier Inc. All rights reserved.
• Phase Transitions and Second-Harmonic Generation in Sodium Monothiophosphate
  作者：Nathan J. Takas、Jennifer A. Aitken

  DOI：10.1021/ic0520216

  日期：2006.4.1

  Oxythiophosphate compounds, which contain anions comprised of oxidized phosphorus bound to oxygen and sulfur, are scarce and, in general, poorly characterized. Although alpha-Na3PO3S has been known for over 60 years, little has been revealed about this compound. Here we present thermal analysis and second-harmonic-generat on (SHG) efficiency of alpha-Na3PO3S. Details about its transformation to the high-temperature beta phase are discussed. Under vacuum, o.-Na3PO3S undergoes one endothermic event at 553 degrees C upon heating and two exothermic events at 504 and 467 degrees C upon cooling. beta-Na3PO3S can be trapped upon quenching Na3PO3S from high temperature. We have observed that the phase converts back to the alpha phase at room temperature. Interestingly, relative humidity has been determined to catalyze this phase transformation. alpha-Na3PO3S oxidizes at 315 degrees C in air to produce Na4P2O7 and Na2SO4. Upon exposure to 1064-nm incident radiation, noncentrosymmetric alpha-Na3PO3S produces an SHG efficiency 200 times that of alpha-quartz and is nonphase-matchable (type 1).