manganese hexafluorosilicate deuterium oxide | 134108-06-8

• 英文名称: manganese hexafluorosilicate deuterium oxide
• 英文别名: [Mn((2)H2O)6]SiF6, P3-
• CAS: 134108-06-8
• 化学式: F₆Si*H₁₂MnO₆
• 分子量: 317.01
• InChiKey: MTADCABXABWNKP-CKQGYFMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  hexaaquamanganese(II) hexafluorosilicate 、 重水 以 重水 为溶剂， 生成 manganese hexafluorosilicate deuterium oxide
  参考文献：
  名称：

  强顺磁相互作用对固态氘核NMR谱的影响

  摘要：

  讨论了分析强顺磁性相互作用影响的2 H NMR光谱的方法。该2为几个分子运动进行1 H NMR光谱的模拟，包括顺磁位移和顺磁自旋-自旋弛豫的影响。通过光谱模拟研究了遥远的顺磁离子对顺磁位移的贡献以及各向异性自旋-自旋弛豫对2 H NMR谱线形的影响。使用提出的方法可以很好地再现通过Exorcycled四极回波序列观察到的[Mn（H 2 O）6 ] [SiF 6 ]的2 H NMR光谱的温度变化。

  DOI：

  10.1016/j.cplett.2005.09.070

文献信息

• Molecular Dynamics in Paramagnetic Materials as Studied by Magic-Angle Spinning ²H NMR Spectra
  作者：Motohiro Mizuno、You Suzuki、Kazunaka Endo、Miwa Murakami、Masataka Tansho、Tadashi Shimizu

  DOI：10.1021/jp075405l

  日期：2007.12.1

  in paramagnetic compounds. The temperature dependences of 2H MAS NMR spectra were measured for paramagnetic [M(H2O)6][SiF6] (M=Ni2+, Mn2+, Co2+) and diamagnetic [Zn(H2O)6][SiF6]. The paramagnetic compounds exhibited an asymmetric line shape in 2H MAS NMR spectra because of the electron-nuclear dipolar coupling. The drastic changes in the shape of spinning sideband patterns and in the line width of

  魔角旋转（MAS）2 H NMR实验用于研究顺磁性化合物中的分子运动。测量了顺磁性[M（H2O）6] [SiF6]（M = Ni2 +，Mn2 +，Co2 +）和抗磁性[Zn（ ）6] [SiF6]的2H MAS NMR光谱与温度的关系。由于电子-核的偶极耦合，顺磁性化合物在2H MAS NMR光谱中显示出不对称的线形。观察到由于水分子的180度翻转和[M（ ）6] 2+绕其C3轴的重新取向，纺丝边带图案的形状和纺丝边带的线宽发生了急剧变化。在顺磁性化合物中，顺磁性自旋自旋弛豫和各向异性g因子导致每个自旋边带的额外线宽。MAS 2H NMR的光谱模拟，对几种分子运动进行了包括顺磁位移和由于电子-核偶极耦合引起的各向异性自旋-自旋弛豫和各向异性g因子的影响的研究。有关10（2）s（-1）动态范围内分子运动的信息
• Molecular dynamics and phase transitions in paramagnetic [Mn(H2O)6][SiF6] investigated by 2H NMR
  作者：Takahiro Iijima、Keigo Hamada、Motohiro Mizuno、Kazunaka Endo、Masahiko Suhara

  DOI：10.1016/j.jpcs.2005.02.007

  日期：2005.6

  The temperature dependences of H-2 NMR spectra and spin-lattice relaxation time T, have been measured for paramagnetic [Mn(H2O)(6)][SiF6]. The obtained H-2 NMR spectra were simulated by considering the quadrupole interaction and paramagnetic shift. The variation of the spectra measured in phase III was explained by the 180 degrees flip of water molecules. The activation energy E,, and the jumping rate at infinite temperature k(0) for the 180 degrees flip of H2O were obtained as 35 kJ mol(-1) and 4 X 10(14) s(-1), respectively. The spectral change in phases I and II was ascribed to the reorientation of [Mn(H2O)(6)](2+) around the C-3 axis where the E-u and k(0) values were estimated as 45 kJ mol(-1) and 1 X 10(13) s(-1), respectively. From the almost temperature independent and short T-1 value, the correlation time for electronspin flip-flops, T,, and the exchange coupling constant J were obtained as 3.0 X 10(-10) s and 2.9 X 10(-3) cm(-1), respectively. The II-III phase transition can be caused by the onset of the jumping motion of [Mn(H2O)(6)](2+) around the C-3 axis. (c) 2005 Elsevier Ltd. All rights reserved.