K(2)HS, low temperature | 12175-24-5

• 英文名称: K(2)HS, low temperature
• CAS: 12175-24-5
• 化学式: HS*K
• 分子量: 73.1643
• InChiKey: ZOCLAPYLSUCOGI-DYCDLGHISA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.27
• 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：
  1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  氢化钾 、 硫化氘 生成 K(2)HS, low temperature
  参考文献：
  名称：

  通过中子衍射研究了钠和钾的硫化氢（NaDS和KDS）中阴离子的重新取向无序在T = 4 K和T = 470 K之间

  摘要：

  NaDS 和 KDS 的高分辨率中子粉末衍射实验是在 ROTAX (ISIS, UK) 的 T = 4 K 和 T = 470 K 之间作为温度的函数进行的。详细研究了原子的概率密度函数 (pdf)，特别是氘的概率密度函数。阴离子的几种形式的温度依赖性重新取向无序是这些化合物结构多晶型的原因。单斜低 (LTM)、菱形中间 (MTM) 和立方高温 (HTM) 变体是多晶型物。对于不同修改的结构，参数通过使用分裂原子模型、傅里叶合成和/或三次谐波进行了细化。作为本研究的主要结果，评估了 NaDS 和 KDS 中氘的 pdf 的各向异性。这是由于阴离子的振动幅度很大。

  DOI：

  10.1063/1.1310618

文献信息

• Jacobs, H.; Metzner, U.; Kirchgaessner, R., Zeitschrift fur Anorganische und Allgemeine Chemie
  作者：Jacobs, H.、Metzner, U.、Kirchgaessner, R.、Lutz, H. D.、Beckenkamp, K.

  DOI：——

  日期：——
• Lattice Vibration Spectra
  作者：K. Beckenkamp、H.D. Lutz、H. Jacobs、U. Metzner

  DOI：10.1006/jssc.1994.1099

  日期：1994.4

  IR and Raman spectra (4000-50 cm-1) of the isostructural alkaline metal hydrogensulfides MSH (M = Na, K, and Rb) as well as of deuterated specimens are recorded in the temperature range 10-540 K. The temperature evolutions of frequencies and half-widths of the SH-stretching and librational modes clearly display the partly second-order phase transitions of the polymorphic title compounds. These phase transitions are driven by thermally activated disordering of the SH- ions from the antiferroelectrically ordered low-temperature polymorphs (LTM) via the two-dimensionally disordered middle-temperature polymorphs (MTM) to three-dimensionally disordered high-temperature polymorphs (HTM). Because of the lack of full translational symmetry in the case of the disordered compounds IR and Raman bands are observed, which are not allowed by group theory. In the case of the LTMs, IR and Raman bands owing to disordered SH- ions are observed additionally to the bands due to the ordered ions. With the exception of NaSH HTM, the SH- ions are not involved in hydrogen bonds. This is revealed by both the SH-stretching frequencies, which are larger than that of free SH- ions, and their negative temperature shifts. (C) 1994 Academic Press, Inc.