[(C6H6)2Cr]PF6, high temperature | 51160-14-6

• 英文名称: [(C6H6)2Cr]PF6, high temperature
• 英文别名: bis(η-benzene)chromium hexafluorophosphate；[Cr(η-C6H6)2]PF6
• CAS: 51160-14-6
• 化学式: C₁₂H₁₂Cr*F₆P
• 分子量: 353.187
• InChiKey: ZBODQRDBOLMWIY-UHFFFAOYSA-N

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：

  manganese phosphorous trisulfide 、 [(C6H6)2Cr]PF6, high temperature 以 乙醇 为溶剂， 生成 MnPS3[Cr(η-C6H6)2]0.24(C6H6)0.10
  参考文献：
  名称：

  某些层状金属三硫化物的有机金属插层

  摘要：

  层状化合物MPS 3（M =锰，锌，铁，或Ni）已经显示出与中性[CO（η-C反应5 ħ 5）2 ]和[铬（η-C 6 H ^ 6）2 ]形成一般stoicheiometry的插层MPS 3 [CO（η-C 5 H ^ 5）2 ] X与MPS 3 [CR（η-C 6 H ^ 6）2 ] X。溶剂的作用非常重要。因此，MnPS 3嵌入[Cr（η- C6 H 6）2]与苯一起形成MnPS 3 [Cr（η- C6 H 6）2 ] 0.24（C 6 H 6）0.10。化合物MnPS 3和ZnPS 3也被证明具有阳离子种类，提供了相关的插层产物。简要讨论了这种意外的插入途径。

  DOI：

  10.1039/dt9790001566
• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 双苯铬 以 水 为溶剂， 生成 [(C6H6)2Cr]PF6, high temperature
  参考文献：
  名称：

  Crystal Forms of Hexafluorophosphate Organometallic Salts and the Importance of Charge-Assisted C−H---F Hydrogen Bonds

  摘要：

  Architecture, stability, and behavior with temperature of the hexafluorophosphate salts [(C5H5)(2)Co][PF6] (1) [(C5H5)(2)Fe][PF6] (2), [(C6H6)(2)Cr][PF6] (3), and [(C6H5Me)(2)Cr][PF6] (4) have been investigated. Crystals 1 and 2 have been measured by variable-temperature X-ray diffraction and differential scanning calorimetry. The phase-transitional behavior of [(C5H5>Co-2][PF6], which undergoes two fully reversible crystal-to-crystal phase transitions, has been compared with the known behavior of [(C5H5)(2)Fe][PF6]. The room-and low-temperature phases (form I and form II) of [(C5H5)(2)Fe][PF6] and [(C5H5)(2)Co][PF6] are isostructural and isomorphous. The basic packing features of crystalline 1 and 2 are maintained on substituting the metallocene system with the bisbenzenechromium cation in 3, The architecture common to the three salts is otherwise disrupted by substituting toluene for benzene in 4. ft has Seen shown that, when assisted by the difference in charge between anions and cations, the C-H---F interactions play a significant role, The structural parameters obtained for C-H---F interactions in 1-4 have been compared with data retrieved from the Cambridge Crystallographic Database on interactions of the X-H---F(delta-) type (X = C, N, O) in organometallic salts of the PF6- anion.

  DOI：

  10.1021/om9706626

文献信息

• Arene transition metal complexes in reactions with nucleophilic agents
  作者：V.V. Litvak、P.P. Kun、I.I. Oleynik、O.V. Volkov、V.D. Shteingarts

  DOI：10.1016/s0022-328x(00)99552-4

  日期：1986.8

  An approach to the synthesis of a series of bis(arene)chromium complexes with a varied substituent in one of the ligands has been worked out, which involves low-temperature co-condensation of chromium vapours with arenes followed by the modification of substituents in arene ligands. In this way a series of complexes have been obtained: (η-C6H5Cl)(η-C6H5X)Cr+A− (X = H, NMe2, , , OMe, OEt, OPr-i, OBu-N

  已研究出一种合成一系列在一个配体中具有不同取代基的双（芳烃）铬配合物的方法，该方法涉及铬蒸气与芳烃的低温共缩合，然后在芳烃中修饰取代基配体。以这种方式已经获得了一系列复合物：（η-C 6 H ^ 5 Cl）的（η-C 6 H ^ 5 X）的Cr +甲-（X = H，NME 2，，，青梅，OET，OPR-i的，OBu-N，Cl，CO 2 H，CO 2 Me，CF 3）；（η-C 6 H ^ 6） - （η-XC 6 H ^ 4 Cl）的铬+甲−（X = H，P -NMe 2，p -OMe，m -OMe，p -Me，m -Me，p -Cl，m -Cl，p -CO 2 Me，m -CO 2 Me，p -CO 2 H，米-CO 2 H，（A - = PF 6 -，BPH 4 -）;（η-C 6 H ^ 5 X）（η-C 6 H ^ 5 CO 2 2H）的Cr + PF 6-（X ＝ H，OPr-i，OBu-n，OMe，Me，Cl，CO
• Fochi, Giovanni; Strähle, Joachim; Gingl, Franz, Inorganic Chemistry, 1991, vol. 30, # 24, p. 4669 - 4671
  作者：Fochi, Giovanni、Strähle, Joachim、Gingl, Franz

  DOI：——

  日期：——
• LITVAK, V. V.;KUN, P. P.;SHTEJNGARTS, V. D., ZH. ORGAN. XIMII, 1982, 18, N 10, 2153-2162
  作者：LITVAK, V. V.、KUN, P. P.、SHTEJNGARTS, V. D.

  DOI：——

  日期：——