{Ir(η4-1,5-cyclooctadiene)(μ-2-hydroxypiridinate)}2 | 98330-72-4

• 英文名称: {Ir(η4-1,5-cyclooctadiene)(μ-2-hydroxypiridinate)}2
• CAS: 98330-72-4
• 化学式: C₂₆H₃₂Ir₂N₂O₂
• 分子量: 788.992
• InChiKey: WLEYIYBILINBAE-MIXQCLKLSA-L

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：
  None
• 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：

  {Ir(η4-1,5-cyclooctadiene)(μ-2-hydroxypiridinate)}2 以 氘代苯 、 甲苯 为溶剂， 生成 [Ir2(μ-2-pyridonate)2(CO)4]
  参考文献：
  名称：

  Discrete Iridium Pyridonate Chains with Variable Metal Valence:  Nature and Energetics of the Ir−Ir Bonding from DFT Calculations

  摘要：

  The structure of the Ir-1 complex [lr(2)(mu-OPY)(2)(CO)(4)] (Opy = 2-pyridonate) has been fully characterized in its head-to-head (A) configuration as a "dimer of dimers" AA in which two binuclear complexes are connected by means of a weak, but unsupported, iridium-iridium interaction (Ir(2)Ir-...(2A) 2.9808(6) angstrom). The head-to-tail isomer, referred to as B, was found in equilibrium with A in solution. It has been shown that this complex can be oxidized by diiodine to give iridium chains with highly selective configurations and general formula I-[Ir-2(mu-OPY)(2)(CO)(4)](n)-l (n = 1-3). The synthesis of IAI (1), of the isomers IAAI (2AA) and IABI (2AB), and of IABAI (3) is reported. DFT calculations have been carried out on A and B and on the known isomers of 1-3, as well as on two isomers of the hypothetic chain of eight Ir-1.25 atoms corresponding to n = 4. The stability of the metal chain is assigned to a 2-electron/2n-center sigma bond delocalized along the metal backbone and supplemented with a weak attractive interaction of the metallophilic type. Calculations confirm that further oxidation of the Ir chains corresponding to n > 1 by iodine, yielding the cleavage of one or two unsupported bond(s), is a highly exothermic process. The formation of the I-[Ir-2(mu-OPy)(2)(CO)(4)](n)-l Chains is also computed to be exothermic, either highly for n = 1 or still significantly for n = 2 and 3. At variance with these results, the formation of an octanuclear chain is predicted to be no more than marginally exothermic (Delta G = 1.7 kcal(.)mol(-1)), mainly because of interligand strain induced by the steric bulk of the amidate rings.

  DOI：

  10.1021/ic050419w
• 作为产物：
  描述：

  2-pyridone sodium salt 、 bis(1,5-cyclooctadiene)diiridium(I) dichloride 以 四氢呋喃 为溶剂， 以85%的产率得到{Ir(η4-1,5-cyclooctadiene)(μ-2-hydroxypiridinate)}2
  参考文献：
  名称：

  Rodman, Gary S.; Mann, Kent R., Inorganic Chemistry, 1988, vol. 27, # 19, p. 3338 - 3346

  摘要：

  DOI：

文献信息

• Rodman, Gary S.; Mann, Kent R., Inorganic Chemistry, 1985, vol. 24, # 22, p. 3507 - 3508
  作者：Rodman, Gary S.、Mann, Kent R.

  DOI：——

  日期：——
• Discrete Mixed-Valence Metal Chains: Iridium Pyridonate Blues The generous financial support from DGES and MCyT-PNI (Projects PB98-641 and BQU2000-1170) is gratefully acknowledged.
  作者：Cristina Tejel、Miguel A. Ciriano、B. Eva Villarroya、Raquel Gelpi、José A. López、Fernando J. Lahoz、Luis A. Oro

  DOI：10.1002/1521-3773(20011105)40:21<4084::aid-anie4084>3.0.co;2-h

  日期：2001.11.5

  Binuclear complexes with head-to-tail (HT) configurations are appropriate for building tetrametallic chains, contrary to previous speculations. Moreover, the isolated HT,HH tetrametallic species are converted into the thermodynamically more stable HH,HH compounds.
• Variable temperature 1H NMR studies of [M(COD)(μ-L)]2 (M  Rh, Ir; L = substituted hydroxypyridinate). Facile intramolecular bridging ligand exchange and metal-metal bond cleavage
  作者：Gary S. Rodman、Kent R. Mann

  DOI：10.1016/0022-328x(89)80014-2

  日期：1989.12