bis-triphenylphosphine(2-tert-butylbenzoquinolato)hydrido(carbonyl)iridium(III) tetrafluoroborate | 477814-17-8

• 英文名称: bis-triphenylphosphine(2-tert-butylbenzoquinolato)hydrido(carbonyl)iridium(III) tetrafluoroborate
• CAS: 477814-17-8
• 化学式: BF₄*C₅₄H₄₇IrNOP₂
• 分子量: 1066.95
• InChiKey: RGLCFIJXYIRGAU-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：

  2-tert-butyl-7,8-benzoquinolato(hydrido)bis(triphenylphosphine)iridium (III) tetrafluoroborate 、 一氧化碳 以 二氯甲烷 为溶剂， 以60%的产率得到bis-triphenylphosphine(2-tert-butylbenzoquinolato)hydrido(carbonyl)iridium(III) tetrafluoroborate
  参考文献：
  名称：

  A cis-IrL(CO) Group Responds to Increasing Steric Bulk of L by M−L Stretching, Not M−C−O Tilting or Bending

  摘要：

  The crystal structures of [Ir(2-R-bq)(PPh3)(2)(H)(CO)](+) (bq = benzoquinolinato; R = H, i-Pr, t-Bu) show that steric interference caused by contact between the bulky pendant R groups of the bq and the C of the cis-CO is relieved by Ir-N bond stretching in the Irbq system and bending of the trans-Ph3P-Ir-PPh3 groups, rather than by tilting or bending of the CO. Ir-CO is therefore more rigid than the Ir-N and Ir-P bonds. The Ir-N stretching is aided by the presence of a high trans effect H trans to N.

  DOI：

  10.1021/ic020144+