mer,trans-tricarbonylbis(triphenylphosphine)(O2CCF3)rhenium | 228090-86-6

• 英文名称: mer,trans-tricarbonylbis(triphenylphosphine)(O2CCF3)rhenium
• CAS: 228090-86-6；59764-96-4
• 化学式: C₄₁H₃₀F₃O₅P₂Re
• 分子量: 907.836
• InChiKey: RSYWZPZAEZHBOQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  pentamethylcyclopentadienyl(carbonyl)(nitrosyl)(COOH)rhenium 、 mer,trans-tricarbonylbis(triphenylphosphine)(O2CCF3)rhenium 、 sodium carbonate 以 甲苯 为溶剂， 生成 tricarbonyl-1κC,2κ(2)C-μ-formato(2-)-1κC:2κ(2)O,O'-nitrosyl-1κN-[1(η(5))-pentamethylcyclopentadienyl]bis(triphenylphosphine)-2κ(2)P-dirhenium
  参考文献：
  名称：

  1-Carbonyl-2,2-cis-dicarbonyl-μ-formato-1C:2O,O'-1-nitrosyl-1-(η5-pentamethylcyclopentadienyl)-2,2-trans-bis(triphenylphosphine)dirhenium

  摘要：

  The title compound {systematic name: tricarbonyl-1 kappa C, 2 kappa(2)C-mu-formato(2-)-1 kappa C:2 kappa(2) O,O'-nitrosyl-1 kappa N-[1(eta(5))-pentamethylcyclopentadienyl] bis(triphenyl-phosphine)-2 kappa(2)P-dirhenium}, [Re-2(CO2)(NO)(C10H15)-(C18H15P)(2)(CO)(3)], has a carbon dioxide ligand bridged between two octahedral rhenium centers. The presence of two triphenylphosphine ligands, which are trans to each other on Re(2), alters the orientation of the bridging CO2 ligand relative to ligands bound to Re(1) in this compound as compared with the analog having a single triphenylphosphine ligand on Re(2).

  DOI：

  10.1107/s010827019501376x
• 作为产物：
  描述：

  trans-mer-Re(H)(PPh3)2(CO)3 、 三氟乙酸 以 二氯甲烷 为溶剂， 以90%的产率得到mer,trans-tricarbonylbis(triphenylphosphine)(O2CCF3)rhenium
  参考文献：
  名称：

  Synthesis and characterization of ruthenium, rhenium and titanium formate, acetate and trifluoroacetate complexes. Correlation of IR spectral properties and bonding types

  摘要：

  New formate (1-3; 4b, 6 and 7), acetate (8, 9) and trifluoroacetate (12, 13 and 15) complexes have been synthesized and characterized by elemental analysis and by IR and H-1 and C-13 NMR spectroscopies. New data or new synthetic procedures are provided for several known complexes (4a, 5, 19, 11 and 14). X-ray structural data for cis-Ru(bpy)(2)(CO)(OCHO)(PO2F2) (4b) clearly identify the eta(1)-bound formate ligand bound to an octahedral ruthenium center and the data for fac-Re(CO)(3)(PPh3(OCOMe) (9) show an eta(2)-bound acetate ligand bound to an octahedral rhenium center. Infrared spectral data for four types of formate complexes, three bonding types of acetates and the two known types of trifluoroacetate ligands are discussed. Comparisons of the v(OCO) bands for the carboxylate ligands in all of the complexes show that these bands are useful in identifying the bonding type of each carboxylate ligand. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00414-8