dichlorodiaquaoxovanadium(IV)-5-crown-5 (1/1) | 157889-07-1

• 分子结构分类: 无机化合物
• 英文名称: dichlorodiaquaoxovanadium(IV)-5-crown-5 (1/1)
• CAS: 157889-07-1
• 化学式: C₁₀H₂₀O₅*Cl₂H₄O₃V
• 分子量: 394.143
• InChiKey: CHYUIBJUQDUCLI-UHFFFAOYSA-L

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：

  vanadium(IV) chloride 、 15-冠醚-5 在 H₂O 作用下， 以 乙醇 、 水 为溶剂， 生成 dichlorodiaquaoxovanadium(IV)-5-crown-5 (1/1)
  参考文献：
  名称：

  Molecular and crystal structures of trans-[VOCl2(H2O)2] hydrogen bonded adducts with 15-crown-5 and benzo-15-crown-5 ether

  摘要：

  The crystal structures of molecular adducts of vanadyl complex of trans[VOC]2(H2O)2] with 15-crown-5 (15C5). benzo-15-crown-5 (B15C5) have been studied by X-ray diffraction at ambient temperature. The adduct of the same complex with 18-crown-6 (18C6) recrystallized from a solvent different from that previously reported, has been also re-refined and the unresolved chloro position has been resolved into two disordered positions. The Cl-V-Cl bond angles in the 15C5 and B15C5 adduct are 143-degrees and 145-degrees. respectively, which are smaller than the O-V-O bond angles of 153-degrees and 154-degrees. There appear eclipsed type H2O-VCl2 conformations in all the adducts. These observations can be ascribed to the steric repulsion between the chloro ligands and aqua hydrogen atoms as well as to the coulombic repulsion between the chloro and oxido ligand. The crystals are composed of adduct polymers with 1 : 1 stoichiometry in which the chromophore and crown ether alternate along the polymer axis. The polymers are formed by hydrogen bonding between the aqua ligand and the oxygen atoms on the crown ring. The crown ethers adopt invariably all-gauche C-C conformation. The O-C bonds are of trans conformation except for a gauche O-C bond in 15C5. ESR parameters of trans-[VOCl2(H2O)2] observed for the 15C5 adduct powder are also presented.

  DOI：

  10.1016/s0277-5387(00)80102-3

文献信息

• Studies on Chromium(III) and Vanadium(III) Complexes with Crown Ether and Crown Thioether Coordination – Synthesis, Properties and Structural Systematics
  作者：Charlotte D. Beard、Loretta Carr、Martin F. Davis、John Evans、William Levason、Louise D. Norman、Gillian Reid、Michael Webster

  DOI：10.1002/ejic.200600573

  日期：2006.11

  series of six-coordinate chloro Cr-III and V-III complexes involving crown ether, crown thioether and mixed ether/thioether crowns, [MCl3(crown)] (M = Cr or V, crown = 12-crown-4, 15-crown-5,18-crown-6, [12]aneS(4), [15]aneS(5), [9]aneS(2)O, [15]aneS(2)O(3), [18]aneS(3)O(3)) has been prepared by the reaction of [MCl3(thf)(3)] with rigorously dried crown in anhydrous CH2Cl2. In the presence of small amounts

  一系列涉及冠醚、冠硫醚和混合醚/硫醚冠的六配位氯 Cr-III 和 V-III 配合物，[MCl3(crown)] (M = Cr 或 V，冠 = 12-crown-4, 15 -crown-5,18-crown-6, [12]aneS(4), [15]aneS(5), [9]aneS(2)O, [15]aneS(2)O(3), [18] ]aneS(3)O(3)) 是通过 [MCl3(thf)(3)] 与严格干燥的冠在无水 CH2Cl2 中反应制备的。在少量水的存在下，获得单水物质 [MCl3(H2O)(15-crown-5)] 和 [MCl3( )(18-crown-6)]。产品已通过红外和紫外/可见光谱、微量分析和 [CrCl3( )(18-crown-6)]、[VCl3( )(15-crown-5)] 和 [CrCl3([15] aneS(5))]，通过 X 射线晶体学。特别是