[Os(CO)2(pypz2)2] | 634606-65-8

• 英文名称: [Os(CO)2(pypz2)2]
• CAS: 634606-65-8
• 化学式: C₂₂H₁₀F₁₀N₆O₂Os
• 分子量: 770.544
• InChiKey: ZQFQHFPXCJRAJO-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  3-pentafluoroethyl-5-(2-pyridyl) pyrazole 、 十二羰基三锇 以 neat (no solvent) 为溶剂， 以43%的产率得到[Os(CO)2(pypz2)2]
  参考文献：
  名称：

  Synthesis and Characterization of Metal Complexes Possessing the 5-(2-Pyridyl) Pyrazolate Ligands:  The Observation of Remarkable Osmium-Induced Blue Phosphorescence in Solution at Room Temperature

  摘要：

  A total of three distinctive main group and transition metal complexes containing the 2-pyridyl pyrazolate (pypz) ligand were prepared, namely, [B(C6F5)(2)(pypz)] (1), [Ru(CO)(2)-(pypz)(2)] (2), and [Os(CO)(2)(pypz)(2)] (3), where (pypz)H = 3-trifluoromethyl-5-(2-pyridyl)pyrazole. Single-crystal X-ray diffraction studies were carried out on complexes 2 and 3, revealing octahedral coordination geometry with two CO ligands located at cis dispositions. While the pypz ligand arrangement for complex 2 is in cis-(N-py,N-py) and trans- (N-pz,N-pz), complex 3 reveals a different configuration, cis-(N-pz,N-pz) and trans-(N-py,N-py) (N-py for pyridine-N and Npz for pyrazolate donor sites). Similar to that of the in-situ-prepared pypz anion, the boron complex [B(C6F5)(2)(pypz)] (1) exhibits a strong emission centered at 380 nm, which is unambiguously assigned to fluorescence derived from the S-1(pipi*)-->S-0 transition. In contrast to the nonluminescent behavior for Ru complex 2, the Os complex 3 displays unique, strong room-temperature phosphorescence, showing vibronic progressions at 430, 457, and 480 rim. The remarkable differences in photophysical properties were rationalized by a combination of pi-electron accepting CO ligand, relative pypz orientation, and heavy-atom-enhanced spin-orbit coupling effects.

  DOI：

  10.1021/om034037e