| 1334037-58-9

• CAS: 1334037-58-9
• 化学式: H₂O*K*O₂V*O₄Se
• 分子量: 283.011
• InChiKey: NHFAFEIRAIFVQD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -7.06
• 重原子数：
  10.0
• 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：
  145.9
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  以 neat (no solvent) 为溶剂， 生成 potassium metavanadate
  参考文献：
  名称：

  Synthesis, structure, and physicochemical properties of K[VO2(SeO4)(H2O)] and K[VO2(SeO4)(H2O)2] · H2O

  摘要：

  The vanadium(V) complexes K[VO2(SeO4)(H2O)] and K[VO2(SeO4)(H2O)(2)] center dot H2O were synthesized using original procedures; their physicochemical properties were studied, and the crystal structure was determined on the basis of X-ray diffraction and neutron diffraction data. The structure of K[VO2(SeO4)(H2O)(2)] center dot H2O is composed of VO6 octahedra connected to form infinite chains by bridging SeO4 tetrahedra. Each VO6 tetrahedron has short terminal V-O bonds forming the bent dioxovanadium group VO2+. The unit cell parameters of K[VO2(SeO4)(H2O)(2)] center dot H2O are a = 6.4045(1) angstrom, b = 9.9721(2) angstrom, c = 6.6104(1) angstrom, beta = 107.183(1)degrees, V = 403.34 angstrom(3), Z = 2, monoclinic system, space group P2(1). The complex K[VO2(SeO4)(H2O)] forms a two-dimensional layered structure composed of highly distorted VO6 octahedra having two short terminal V-O bonds and SeO4 groups coordinated simultaneously by three vanadium atoms. This compound crystallizes in the monoclinic system (space group P2(1)/c): a = 7.3783(1) angstrom, b = 10.5550(2) angstrom, c = 10.3460(2) angstrom, beta = 131.625(1)degrees, V = 602.894(5) angstrom(3), Z = 4. The vibrational spectra of the studied compounds are fully consistent with their structural features.

  DOI：

  10.1134/s0036023611080262
• 作为产物：
  描述：

  水 、 potassium oxodiselenatovanadate(V) 以 neat (no solvent, solid phase) 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, structure, and properties of M[VO2(XO4)(H2O)2] · H2O (X = S, M = K, Rb, NH4, Tl; X = Se, M = K, Rb, NH4)

  摘要：

  Keeping of MVO(XO4)(2) under saturated vapor pressure at room temperature resulted in the synthesis of a number of isostructural complexes M[VO2(XO4)(H2O)(2)] center dot H2O, where X = S, M = K, Rb, NH4, Tl and X = Se, M = K, Rb, NH4. The conclusion about the isostructural nature of the synthesized sulfate and selenate compounds was based on X-ray diffraction and vibrational spectroscopy data. Characteristic features of the thermal decomposition of M[VO2(XO4)(H2O)(2)] center dot H2O on heating in air were identified. It was shown that K[VO2(SeO4)(H2O)(2)] center dot H2O tends to undergo spontaneous dehydration under ambient conditions to give the monohydrate K[VO2(SeO4)(H2O)].

  DOI：

  10.1134/s0036023611030132

文献信息

• Krasil'nikov, V. N.; Glazyrin, M. P.; Ivakin, A. A., Russian Journal of Inorganic Chemistry, 1987, vol. 32, p. 1044 - 1046
  作者：Krasil'nikov, V. N.、Glazyrin, M. P.、Ivakin, A. A.

  DOI：——

  日期：——
• Krasil'nikov, V. N.; Ivakin, A. A., Russian Journal of Inorganic Chemistry, <hi>1984</hi>, vol. 29, p. 1613 - 1614
  作者：Krasil'nikov, V. N.、Ivakin, A. A.

  DOI：——

  日期：——