[RuH(CO)(2,6-bis-(benzimidazol-2-yl)-pyridine)(PPh3)2]*(methanol) | 1394852-91-5

• 英文名称: [RuH(CO)(2,6-bis-(benzimidazol-2-yl)-pyridine)(PPh3)2]*(methanol)
• CAS: 1394852-91-5
• 化学式: CH₄O*C₅₆H₄₃N₅OP₂Ru
• 分子量: 997.05
• InChiKey: GRWWXSNUZOINQK-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：
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• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  甲醇 、 2,6-双(2-苯并咪唑基)吡啶 、 [RuHCl(CO)(PPh₃)₃] 在 sodium azide 作用下， 反应 4.0h， 生成 [RuH(CO)(2,6-bis-(benzimidazol-2-yl)-pyridine)(PPh3)2]*(methanol)
  参考文献：
  名称：

  Synthesis and characterizations of hydride carbonyl ruthenium(II) complexes with (benzimidazol-2-yl)-pyridine ligand

  摘要：

  The hydride carbonyl ruthenium(II) [RuH(CO)(bzimpy)(PPh3)(2)]Cl center dot CH3OH (1) and [RuH(CO)(bzimpy)(PPh3)(2)]center dot CH3OH (2) complexes were synthesized and characterized by IR, H-1, P-31 NMR, UV-Vis spectroscopy and X-ray crystallography. In the complexes the 2,6-bis-(benzimidazol-2-y1)-pyridine functions as bidentate ligand exists as protonated in (1) and deprotonated form in (2). The experimental studies were complemented by quantum chemical calculations which were used to identify the nature of the interactions between the ligands and the central ion and the orbital compositions in the frontier electronic structures. Based on a molecular orbital scheme, the calculated results allowed the interpretation of the UV-Vis spectra obtained at an experimental level. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.07.002