ReO(TPP)Cl | 128709-71-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: ReO(TPP)Cl
• CAS: 128709-71-7
• 化学式: C₄₄H₂₈ClN₄ORe
• 分子量: 850.393
• InChiKey: AZNZBFPUPKNGKJ-NBICUONBSA-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：

  ReO(TPP)Cl 以 吡啶 为溶剂， 以>99的产率得到μ-Oxo-bis(oxotetraphenylporphyrinatorhenium(V))
  参考文献：
  名称：

  氧代配体 ReV 酞菁和 ReV 四苯基卟啉：合成、性质和晶体结构

  摘要：

  Hexa-coordinated Re-V phthalocyaninates (pc) and Re-V tetraphenylporphyrinates (tpp) of the type [Re(O)(X)p] (p: pc, tpp) with X=OCH3, ReO4, Cl/pc, F/pc, OH/tpp, [{Re(O)p}(2)(mu-O)] and (cat)(trans)[Re(O)(2p)] (cat: (Bu4N)-Bu-n, Et4N/ tpp) have been isolated and characterised by their UV-Vis-NIR, IR and resonance Raman (RR) spectra. In the RR spectra, the intensity of the (Re=O) and (Re-X) stretching vibrations (v(Re=O/-X)) in [Re(O)(X)p] and [{Re(O)(p)}(2)-(mu-O)] is selectively enhanced with excitation in coincidence with O --> Re-CT between ca 19000 and 22000 cm(-1). In accordance to selection rules, data of v(Re=O/-X) compare well with these of the complementary IR spectra. Because of the trans influence v(Re=O) depends on the axial ligand X, ranging from 940 to 1010cm(-1). The crystallographic characterization of [Re(O)(ReO4)tpp] . CHCl3 (1), [{Re(O)tpp}(2)(mu-O)] . py (2), ((Bu4N)-Bu-n)(trans)[Re(O),tpp](3), and (Et4N)(trans)[Re(O)(2)tpp] . 2H(2)O (4) is described. The tpp centered Re atom is in a distorted octahedron of four N atoms of the porphyrinate and two axial O atoms in a mutual trans position. Average Re-N distances are 2.062 Angstrom in 1, 2.086 Angstrom in 2, 2.089 Angstrom in 3, and 2.082/2.086 Angstrom in 4. The Re-O distance of the terminal rhenyl group varies from 1.64(1) Angstrom (1), 1.73(1)11.70(1) Angstrom (2) to 1.80(1) Angstrom (4), that of the monodentate rhenate(VII) from 1.70(1) to 1.75(1) Angstrom. The Re-O distances in the bridge of the linear O=Re-O-Re=O skeleton in 2 are 1.95(1)/1.89(1) Angstrom. In 1, with a bent O=Re-O similar or equal to ReO3 moiety (measured angle(Re-O similar or equal to ReO3)= 143(1)degrees) and a mostly ionic coordinated rhenate(VII), these distances differ significantly (2.20(1) Angstrom vs 1.75(1) Angstrom). The porphyrinate in 1 is saucer-shaped with a distal rhenate(VII), and the tpp centered Re atom is displaced by 0.31 Angstrom out of the (N)(4) plane towards the rhenyl-O atom. The distorted porphyrinates in 2 are rotated by 30.4(4)degrees, and the Re atoms are 0.1 Angstrom out of their (N)(4) planes towards the terminal O atoms. In 3 and 4 the porphyrinates are almost planar with the Re atom in their centre.

  DOI：

  10.1002/(sici)1521-3749(200004)626:4<985::aid-zaac985>3.0.co;2-3

文献信息

• Buchler, Johann W.; Cian, Andre de; Fischer, Jean, Chemische Berichte, 1990, vol. 123, p. 2247 - 2254
  作者：Buchler, Johann W.、Cian, Andre de、Fischer, Jean、Kruppa, Steffen B.、Weiss, Raymond

  DOI：——

  日期：——