chromium;dihydrate

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属有机体
• 英文名称: chromium;dihydrate
• 化学式: Cr₂O₂
• 分子量: 135.991
• InChiKey: GDXOTRUWJGNUCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.65
• 重原子数：
  4
• 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：
  2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  铬 、 氧气-18O2 、 dioxygen-(16)O 以 gaseous matrix 为溶剂， 生成 chromium(III) oxide * x H2O 、 chromium superoxide 、 chromium;dihydrate
  参考文献：
  名称：

  Reactions of laser-ablated chromium atoms with dioxygen. Infrared spectra of CrO, OCrO, CrOO, CrO3, Cr(OO)2, Cr2O2, Cr2O3 and Cr2O4 in solid argon

  摘要：

  Reactions of laser-ablated Cr atoms with O2 gave a very strong, sharp 965.4 cm−1 band and weak, sharp 1869.7, 984.3, 914.4, 846.3, 716.2, and 643.1 cm−1 bands. The 1869.7, 965.4, and 914.4 cm−1 bands track together on annealing, show 52Cr, 53Cr, 54Cr isotopic splittings appropriate for a single Cr atom and triplets with statistical 16,18O2 for two equivalent O atoms, and are assigned to the ν1+ν3, ν3 and ν1 modes of the bent (128°±4°) chromium dioxide OCrO molecule. The 984.3 cm−1 band shows chromium isotopic splittings for two Cr atoms and 16,18O2 components for two O atoms, and is attributed to the bent CrOCrO molecule. The weak 846.3 cm−1 band exhibits proper oxygen isotopic behavior for CrO and is redshifted 39 cm−1 from the gas-phase value, the maximum shift observed for a first row transition metal monoxide. The sharp 716.2 and 643.1 cm−1 bands track together; the former reveals Cr isotopic splittings for two Cr atoms and the latter 16,18O2 splittings for two sets of dioxygen subunits; the branched-puckered-ring dimer O(Cr2O2)O is identified. Annealing produces new bands due to CrOO, CrO3, Cr(OO)2 and the ring dimers (Cr2O2) and (Cr2O2)O, which are identified from isotopic shifts and splitting patterns.

  DOI：

  10.1063/1.474637
• 作为试剂：
  描述：

  乙炔 在 zinc(II) fluoride 、 chromium;dihydrate 、 Al₂O₃ (TsKhA-1) 、 zinc(II) oxide 氨 作用下， 以48.8%的产率得到碳酸甲丙酯
  参考文献：
  名称：

  Yusupov, D.; Kuchkarov, A. B.; Khamiduallaev, R. A., Journal of applied chemistry of the USSR, 1988, vol. 61, # 5, p. 992 - 996

  摘要：

  DOI：