tetrabutylammonium octachloroditechnetate(III) | 62828-02-8

• 英文名称: tetrabutylammonium octachloroditechnetate(III)
• 英文别名: [n-Bu4N]2(99)Tc2Cl8
• CAS: 62828-02-8
• 化学式: 2C₁₆H₃₆N*Cl₈Tc₂
• 分子量: 966.561
• InChiKey: FHLCTGOZDAICTP-BWGQETTISA-F

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

• 作为反应物：
  描述：

  tetrabutylammonium octachloroditechnetate(III) 、 cesium chloride 在 盐酸 作用下， 以 水 为溶剂， 生成 、
  参考文献：
  名称：

  Probing the Presence of Multiple Metal–Metal Bonds in Technetium Chlorides by X-ray Absorption Spectroscopy: Implications for Synthetic Chemistry

  摘要：

  The cesium salts of [Tc2X8](3-) (X = Cl, Br), the reduction product of (n-Bu4N)[TcOCl4] with (n-Bu4N)BH4 in THF, and the product obtained from reaction of Tc-2(O2CCH3)(4)Cl-2 with HCl(g) at 300 degrees C have been characterized by extended X-ray absorption fine structure (EXAFS) spectroscopy. For the [TcX8](3-) anions, the Tc-Tc separations found by EXAFS spectroscopy (2.12(2) angstrom for both X = Cl and Br) are in excellent agreement with those found by single-crystal X-ray diffraction (SCXRD) measurements (2.117[4] angstrom for X = Cl and 2.1265(1) angstrom for X = Br). The Tc-Tc separation found by EXAFS in these anions is slightly shorter than those found in the [Tc2X8](2-) anions (2.16(2) angstrom for X = Cl and Br). Spectroscopic and SCXRD characterization of the reduction product of (n-Bu4N)[TcOCl4] with (n-Bu4N)BH4 are consistent with the presence of dinuclear species that are related to the [Tc2Cl8](n-) (n = 2, 3) anions. From these results, a new preparation of (n-Bu4N)(2)[Tc2Cl8] was developed. Finally, EXAFS characterization of the product obtained from reaction of Tc-2(O2CCH3)(4)Cl-2 with HCl(g) at 300 degrees C indicates the presence of amorphous alpha-TcCl3. The Tc-Tc separation (i.e., 2.46(2) angstrom) measured in this compound is consistent with the presence of Tc=Tc double bonds in the [Tc-3](9+) core.

  DOI：

  10.1021/ic3014859
• 作为产物：
  描述：

  tetrabutylammonium [(99g)Tc]tetrachlorooxotechnetate(V) 在 tetrabutylammonium borohydride 、 盐酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 0.2h， 以37%的产率得到tetrabutylammonium octachloroditechnetate(III)
  参考文献：
  名称：

  Probing the Presence of Multiple Metal–Metal Bonds in Technetium Chlorides by X-ray Absorption Spectroscopy: Implications for Synthetic Chemistry

  摘要：

  The cesium salts of [Tc2X8](3-) (X = Cl, Br), the reduction product of (n-Bu4N)[TcOCl4] with (n-Bu4N)BH4 in THF, and the product obtained from reaction of Tc-2(O2CCH3)(4)Cl-2 with HCl(g) at 300 degrees C have been characterized by extended X-ray absorption fine structure (EXAFS) spectroscopy. For the [TcX8](3-) anions, the Tc-Tc separations found by EXAFS spectroscopy (2.12(2) angstrom for both X = Cl and Br) are in excellent agreement with those found by single-crystal X-ray diffraction (SCXRD) measurements (2.117[4] angstrom for X = Cl and 2.1265(1) angstrom for X = Br). The Tc-Tc separation found by EXAFS in these anions is slightly shorter than those found in the [Tc2X8](2-) anions (2.16(2) angstrom for X = Cl and Br). Spectroscopic and SCXRD characterization of the reduction product of (n-Bu4N)[TcOCl4] with (n-Bu4N)BH4 are consistent with the presence of dinuclear species that are related to the [Tc2Cl8](n-) (n = 2, 3) anions. From these results, a new preparation of (n-Bu4N)(2)[Tc2Cl8] was developed. Finally, EXAFS characterization of the product obtained from reaction of Tc-2(O2CCH3)(4)Cl-2 with HCl(g) at 300 degrees C indicates the presence of amorphous alpha-TcCl3. The Tc-Tc separation (i.e., 2.46(2) angstrom) measured in this compound is consistent with the presence of Tc=Tc double bonds in the [Tc-3](9+) core.

  DOI：

  10.1021/ic3014859

文献信息

• Cotton, F. Albert; Daniels, Lee; Davison, Alan, Inorganic Chemistry, 1981, vol. 20, # 9, p. 3051 - 3055
  作者：Cotton, F. Albert、Daniels, Lee、Davison, Alan、Orvig, Chris

  DOI：——

  日期：——