(tetrabuthylammonium)[trans-Pt(CC-naphthyl)₂(CN)(PPh₃)] | 1420879-11-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (tetrabuthylammonium)[trans-Pt(CC-naphthyl)₂(CN)(PPh₃)]
• 英文别名: (NBu₄)[trans-Pt(CCNp)₂(CN)(PPh₃)]
• CAS: 1420879-11-3
• 化学式: C₁₆H₃₆N*C₄₃H₂₉NPPt
• 分子量: 1028.23
• InChiKey: FXQPKRWTBGTMBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 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：

  (tetrabuthylammonium)[trans-Pt(CC-naphthyl)₂(CN)(PPh₃)] 、 氰化四丁基铵 以 丙酮 为溶剂， 以1.25 g的产率得到(tetrabuthylammonium)₂[trans-Pt(CC-naphthyl)₂(CN)₂]
  参考文献：
  名称：

  New Trans-Configured Acetylide–Cyanide Platinum(II) Anions: Spectroscopic and Optical Studies

  摘要：

  A novel series of phosphorescent stable mixed acetylide-cyanide anionic (NBu4)(2)[trans-Pt(C CR)(2)(CN)(2)] (R = Tol (1), C6H4CF3-4 (2), C5H4N-4 (3), Np (4)) complexes were prepared by reactions of the neutral [trans-Pt(C CR)(2)(PPh3)(2)] precursors with excess (NBu4)CN. The formation of 1-4 takes place through monoanionic [trans-Pt(C CR)(2)(CN)(PPh3)](-) intermediate species, as confirmed by the isolation of the naphthyl derivative (NBu4)[trans-Pt(C CNp)(2)(CN)(PPh3)] (5). Further substitution of PPh3 in 5 by (CNBu)-Bu-t gives (NBu4)[trans-Pt(C CNp)(2)(CN)-((CNBu)-Bu-t)], containing three different isoelectronic ligands. The complexes have been characterized (H-1, C-13, Pt-195 NMR, IR, MALDI-TOF), including X-ray crystallography for 2, 4, and 6, and their spectroscopic and optical properties compared to those of the related homoleptic [Pt(C CR)(4)](2-) complexes. Time-dependent density functional theory (TD-DFT) calculations were performed for anions 1(2-) and 4(2-) and three different conformers of 6(-) to provide further insight into the nature of the electronic transitions.

  DOI：

  10.1021/om301134k
• 作为产物：
  描述：

  氰化四丁基铵 、 以 丙酮 为溶剂， 反应 0.25h， 以46%的产率得到(tetrabuthylammonium)[trans-Pt(CC-naphthyl)₂(CN)(PPh₃)]
  参考文献：
  名称：

  New Trans-Configured Acetylide–Cyanide Platinum(II) Anions: Spectroscopic and Optical Studies

  摘要：

  A novel series of phosphorescent stable mixed acetylide-cyanide anionic (NBu4)(2)[trans-Pt(C CR)(2)(CN)(2)] (R = Tol (1), C6H4CF3-4 (2), C5H4N-4 (3), Np (4)) complexes were prepared by reactions of the neutral [trans-Pt(C CR)(2)(PPh3)(2)] precursors with excess (NBu4)CN. The formation of 1-4 takes place through monoanionic [trans-Pt(C CR)(2)(CN)(PPh3)](-) intermediate species, as confirmed by the isolation of the naphthyl derivative (NBu4)[trans-Pt(C CNp)(2)(CN)(PPh3)] (5). Further substitution of PPh3 in 5 by (CNBu)-Bu-t gives (NBu4)[trans-Pt(C CNp)(2)(CN)-((CNBu)-Bu-t)], containing three different isoelectronic ligands. The complexes have been characterized (H-1, C-13, Pt-195 NMR, IR, MALDI-TOF), including X-ray crystallography for 2, 4, and 6, and their spectroscopic and optical properties compared to those of the related homoleptic [Pt(C CR)(4)](2-) complexes. Time-dependent density functional theory (TD-DFT) calculations were performed for anions 1(2-) and 4(2-) and three different conformers of 6(-) to provide further insight into the nature of the electronic transitions.

  DOI：

  10.1021/om301134k