| 110891-62-8

• CAS: 110891-62-8
• 化学式: HO*Mg
• 分子量: 42.3044
• InChiKey: UNYOJUYSNFGNDV-DYCDLGHISA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.56
• 重原子数：
  2.0
• 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：
  30.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  magnesium 、 hydrogen peroxide 以 gas 为溶剂， 生成
  参考文献：
  名称：

  Millimeter‐wave rotational spectroscopy of MgOD and CaOD (X ²Σ⁺)

  摘要：

  Pure rotational spectra of CaOD and MgOD have been recorded in the range 200–390 GHz using millimeter/sub-mm direct absorption spectroscopy. Transitions arising from the (000), (010), (020), and (100) modes have been measured for the 2Σ+ ground electronic states of these free radicals. The data were analyzed successfully using a linear 2Σ+ model for CaOD; for MgOD, only the (000) and (010) states could be fit with this Hamiltonian. Moreover, the (010) data required the addition of a substantial pΠ term to account for contamination of excited 2Π electronic states. For both species, the α2 vibration–rotation term was found to be negative, in contrast to MgOH and CaOH, suggesting a less anharmonic contribution to the bending potential in CaOD and MgOD. These measurements also indicate a shorter O–H bond in MgOH than the other alkaline earth hydroxide radicals, which likely results because this species is quasilinear.

  DOI：

  10.1063/1.470030

文献信息

• The millimeter-wave spectrum of the MgOH radical (X 2Σ+)
  作者：W.L. Barclay、M.A. Anderson、L.M. Ziurys

  DOI：10.1016/0009-2614(92)85959-e

  日期：1992.8

  The pure rotational spectrum of the ground electronic state (X 2Σ+) of the MgOH radical has been observed using millimeter/sub-millimeter direct absorption spectroscopy, as well as that of MgOD, and the less abundant magnesium isotopically-substituted species 25MgOH and 26MgOH. The free radicals were created in a Broida-type oven by the reaction of metal vapor with hydrogen peroxide. The spin—rotation

  基电子态的纯转动光谱（X 2 Σ +的MgOH自由基）已经使用毫米/亚毫米直接吸收光谱观察到的，以及该MgOD的，和较不丰富的镁同位素取代的物种25 MgOH和26 MgOH。自由基是在Broida型烤箱中通过金属蒸气与过氧化氢的反应产生的。在这些数据中很容易观察到自旋旋转分裂。然而，超细结构仅解析为25 MgOH。基团的旋转和旋旋转常量已经从非线性平方拟合至少使用确定的2 Σ哈密顿。在25还估计了镁超细常数。
• High resolution spectroscopy of MgOH (X 2Σ+) in its V2 mode: Further evidence for quasilinearity
  作者：A. J. Apponi、M. A. Anderson、L. M. Ziurys

  DOI：10.1063/1.480455

  日期：1999.12.22

  Pure rotational spectraof the MgOH and MgOD radicals have been recorded in the v2bending vibration of their X 2Σ+ground electronic statesusing millimeter-wave direct absorption spectroscopy. Multiple rotational transitions arising from the v2l=11,22,20,31,33,42,and 44substates have been measured in the frequency range 240–520 GHz for these species. Both the spin-rotation and l-type doubling interactions have been resolved in the spectra. The complete data sets for MgOH and MgOD have been analyzed using a linear model for the Hamiltonian which takes into account higher order (l=±4)l-type interactions. The global analyses were adequate, but anomalous behavior was apparent in both molecules. In particular, the Bvvs v2relation was found to be highly nonlinear, large variations in the l-type doubling constant q were observed with vibrational level, and r0,rs,and r̃estructures determined differed substantially. Such findings suggest that MgOH is highly quasilinear,comparable to HNCO. The competition between ionic and covalent bonding is therefore becoming apparent in the lighter alkaline earth hydroxide species.