tantalum(5+);thionyl dichloride;pentachloride | 332404-40-7

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 卤代有机物
• 英文名称: tantalum(5+);thionyl dichloride;pentachloride
• CAS: 332404-40-7
• 化学式: Cl₇OSTa
• 分子量: 477.184
• InChiKey: YWXUQHYTZJVISS-UHFFFAOYSA-I

计算性质

• 辛醇/水分配系数(LogP)：
  -13.94
• 重原子数：
  10
• 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：
  36.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  氯化亚砜 、 tantalum pentachloride 以 neat (no solvent) 为溶剂， 生成 tantalum(5+);thionyl dichloride;pentachloride
  参考文献：
  名称：

  Reactions of Chalcogen Oxide Chlorides EOCl2 (E = S, Se) with Group 5 Metal Chlorides

  摘要：

  The tantalum derivative TaCl5(SOCl2), thermally unstable above 290 K, was prepared from Ta2Cl10 and SOCl2 and studied by X-ray crystallography at 180 K. Tantalum atom is octahedrally coordinated by five chlorides at Ta-Cl distances comprised between 2.32 and 2.36 Angstrom and by the oxygen atom of SOCl2 at the Ta-O distance of 2.34 Angstrom. No evidence for the existence of an analogous compound of niobium(V) has been obtained. The halides of Group 5, M2Cl10, M = Nb, Ta, react with SeOCl2 to give the solid adducts MCl5(SeOCl2) stable at room temperature. The reaction of NbCl5(SeOCl2) with SOCl2 affords [SeCl3][NbCl6] which contains trigonal-pyramidal (SeCl3)(+) cations with Se-Cl distances of 2.13-2.16 Angstrom and octahedral [NbCl6](-) anions (Nb-Cl: 2.27-2.45 Angstrom). A distorted octahedral coordination around the selenium atom is achieved by additional interactions [Se . . . Cl, 2.81-2.98 Angstrom] between selenium and the [NbCl6](-) anion.

  DOI：

  10.1002/1521-3749(200102)627:2<180::aid-zaac180>3.0.co;2-k