yttrium dideuteride | 14067-11-9

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: yttrium dideuteride
• CAS: 14067-11-9
• 化学式: H₂Y
• 分子量: 92.9059
• InChiKey: HQBLERQTUHVLKR-IMSGLENWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.54
• 重原子数：
  1.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  yttrium trihydride 生成 yttrium dideuteride
  参考文献：
  名称：

  The high temperature generation and ESR investigation of ScH₂, YH₂, and YD₂radicals in rare gas matrices: A nonequilibrium vaporization technique for solid samples

  摘要：

  The ScH2, YH2, and YD2 radicals have been generated from metal hydride powders at high temperatures by a nonequilibrium vaporization technique. The MH2 radicals were isolated in rare gas matrices at 12 K and investigated by electron spin resonance (ESR). The vaporization procedure has potential applications for the production of other vapor species which are difficult to generate by conventional means. The electronic structure, geometry, and ground state of these dihydride radicals were estimated from the ESR results and compared with recent theoretical conclusions. The metal ’’d’’ electron was found not to participate significantly in the M–H bond. These findings for MH2 are compared with recent results for ScF2 and YF2. The magnetic parameters for ScH2 are g∥ = 1.980 (1), g⊥ = 1.987 (1), A∥(45Sc) = −212 (2) MHz, A⊥(45Sc) = −128, ‖Aiso‖(H) = 12 (2). For YH2, g⊥ = 1.991  (1), A⊥(89Y) = −40 (10) MHz, ‖A⊥‖ (H) = 13 (2) MHz.

  DOI：

  10.1063/1.441110

文献信息

• Neutron diffraction study, magnetic properties and thermal stability of YMn2D6 synthesized under high deuterium pressure
  作者：V. Paul-Boncour、S.M. Filipek、M. Dorogova、F. Bourée、G. André、I. Marchuk、A. Percheron-Guégan、R.S. Liu

  DOI：10.1016/j.jssc.2004.05.066

  日期：2005.1

  a K2PtCl6-type structure with a partially disordered substructure which can be written as [YMn]MnH6. No ordered magnetic moment is observed in the NPD patterns and the magnetization measurements display a paramagnetic behavior. The study of the thermal stability by Differential Scanning Calorimetry and XRD experiments indicates that this phase decomposes in YD2 and Mn at 625 K, and is more stable than

  一个新的阶段YMN 2 d 6通过提交YMN合成2在473 K.至1.7千巴压力氘根据X射线和中子衍射实验，YMN 2 d 6个所述为Fm3m中结晶为a = 6.709空间群（ 1）在300 K的Y和一半的Mn原子的统计学占据8 ç位点，而其它Mn原子都位于4一个网站，并通过6个d原子（24 E）包围。这对应于A K 2氯铂酸6型结构，其具有部分无序子结构，其可被写为[YMN] MNH 6。没有下令磁矩在NPD模式观察和磁化，测量显示顺磁性的行为。通过差示扫描量热法和X射线衍射实验的热稳定性的研究表明，该相在YD分解2和Mn在625 K，并且比YMN更稳定2 ħ 4.5。
• Homoleptic Tetrahydrometalate Anions MH₄^- (M = Sc, Y, La). Matrix Infrared Spectra and DFT Calculations
  作者：Xuefeng Wang、Lester Andrews

  DOI：10.1021/ja020112l

  日期：2002.6.1

  Laser-ablated Sc, Y, and La atoms react with molecular hydrogen upon condensation in excess argon, neon, and deuterium to produce the metal dihydride molecules and dihydrogen complexes MH2 and (H-2)MH2. The homoleptic tetrahydrometalate anions ScH4-, YH4-, and LaH4- are formed by electron capture and identified by isotopic substitution (D-2, HD, and H-2 + D-2 mixtures). Doping with CCl4 to serve as an electron trap virtually eliminates the anion bands, and further supports the anion identifications. The observed vibrational frequencies are in agreement with the results of density functional theory calculations, which predict electron affinities in the 2.8-2.4 eV range for the (H-2)ScH2, (H-2)YH2, and (H-2)LaH2 complexes, and indicate high stability for the MH4- (M = Sc, La, Y) anions and suggest the promise of synthesis on a larger scale for use as reducing agents.