mer,trans-(Mn(CO)3[P(C7H7)3][P(C7H7)2(η2-C7H7)])BF4 | 640690-52-4

• 英文名称: mer,trans-(Mn(CO)3[P(C7H7)3][P(C7H7)2(η2-C7H7)])BF4
• CAS: 640690-52-4
• 化学式: BF₄*C₄₅H₄₂MnO₃P₂
• 分子量: 834.517
• InChiKey: WUJCBSYQUVZLJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• 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：

  mer,trans-(Mn(CO)3[P(C7H7)3][P(C7H7)2(η2-C7H7)])BF4 、 异氰酸叔丁酯 以 二氯甲烷 为溶剂， 以90%的产率得到mer,trans-(Mn(CO)3[tri(1-cyclohepta-2,4,6-trienyl)phosphane]2(tert-butyl isocyanide))BF4
  参考文献：
  名称：

  Cationic carbonylmanganese complexes of the olefinic ligand tri(1-cyclohepta-2,4,6-trienyl)phosphane, P(C7H7)3

  摘要：

  A series of tetrafluoroborate salts of carbonylmanganese cations was obtained which contain the olefinic phosphane, P(C7H7)3 (1). Whereas 1 is a conventional two-electron phosphatic ligand ([P]) in {Mn(CO)(5)[P]}BF4 (2)-as in the neutral bromide or trifluoroacetate complexes, cis-{Mn(X)(CO)(4)[P]}BF4 (X = Br (4b), CF3COO (4d)) and mer, trans-{Mn(X)(CO)(3)[P]}BF4 (X = Br (5b), CF3COO (5d))-it is transformed into a four-electron chelate ligand ([P']) if 4b and 5b react with AgBF4 to give cis-{Mn(CO)(4)[P']}BF4 (7) and mer, trans- {Mn(CO)(3)[P][P']}BF4 (8), respectively, ([P'] = P(C7H7)(2)(eta(2)-C7H7)). An analogous halide abstraction by AgBF4 converts mer-{Mn(I)(CO)(3)[P']} (6c) into fac-{Mn(CO)(3)[P"]}BF4 (9) which contains the phosphane as a six-electron ligand ([P"]) with an eta(4)-norcaradienyl ring ([P"] = P(C7H7)(2)(eta(4)-C7H7)). The coordinated eta(2)-cyclohepta-2,4,6-trienyl substituent in 7 and 8 is displaced by tert-butyl isocyanide (L) to give cis-{Mn(CO)(4)[P](L)}BF4 (10) and mer,trans-{Mn(CO)(3)[P](2)(L)}BF4 (11), respectively. The structures of the new cations have been assigned on the basis of their carbonyl stretching absorption patterns in the IR spectra and by their H-1-, C-13- and P-31-NMR spectra. Single-crystal X-ray structure analyses were carried out for 7 and 9. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2003.07.012
• 作为产物：
  描述：

  bromo-mer-tricarbonyl-trans-bis[tri(1-cyclohepta-2,4,6-trienyl)phosphane]-manganese 、 silver tetrafluoroborate 生成 mer,trans-(Mn(CO)3[P(C7H7)3][P(C7H7)2(η2-C7H7)])BF4
  参考文献：
  名称：

  Synthesis and Reactivity of Bromo-Mer-Tricarbonyl-Trans-Bis[Tri(1-Cyclohepta- 2,4,6-Trienyl)Phosphane]-Manganese, Mnbr(CO)₃[P(C₇H₇)₃]₂

  摘要：

  Mn(X)(CO)5 (X = Cl, Br, I) 与2当量三(1-环庚二烯基)膦反应，首先逐步形成顺式-{Mn(X)(CO)4[P]} (X = Cl (4a), Br (4b), I (4c))，然后形成反式、顺式-{Mn(X)(CO)3[P]2} (X = Cl (5a), Br (5b), I (5c))。通过核磁位移实验证明，5e的硫氰酸盐配体是N-配位的。

  DOI：

  10.1515/znb-2003-0102