| 1250889-93-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 1250889-93-0
• 化学式: C₄₈H₆₀BrNO₂P₂Pt
• 分子量: 1019.94
• InChiKey: YISHGNNDFPYBMR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  10.99
• 重原子数：
  55
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  、 溴 以 二氯甲烷 为溶剂， 反应 0.5h， 以97%的产率得到
  参考文献：
  名称：

  High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes

  摘要：

  Pt(IV) complexes trans-Pt(PEt3)(2)(R)(Br)(3) (R = Br, aryl and polycyclic aromatic fragments) photoeliminate molecular bromine with quantum yields as high as 82%. Photoelimination occurs both in the solid state and in solution. Calorimetry measurements and DFT calculations (PMe3 analogs) indicate endothermic and endergonic photoeliminations with free energies from 2 to 22 kcal/mol of Br-2. Solution trapping experiments with high concentrations of 2,3-dimethyl-2-butene suggest a radical-like excited state precursor to bromine elimination.

  DOI：

  10.1021/ic4004998
• 作为产物：
  描述：

  在 1-己烯 作用下， 以 二氯甲烷 为溶剂， 以94%的产率得到
  参考文献：
  名称：

  High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes

  摘要：

  Pt(IV) complexes trans-Pt(PEt3)(2)(R)(Br)(3) (R = Br, aryl and polycyclic aromatic fragments) photoeliminate molecular bromine with quantum yields as high as 82%. Photoelimination occurs both in the solid state and in solution. Calorimetry measurements and DFT calculations (PMe3 analogs) indicate endothermic and endergonic photoeliminations with free energies from 2 to 22 kcal/mol of Br-2. Solution trapping experiments with high concentrations of 2,3-dimethyl-2-butene suggest a radical-like excited state precursor to bromine elimination.

  DOI：

  10.1021/ic4004998

文献信息

• Highly Fluorescent Platinum(II) Organometallic Complexes of Perylene and Perylene Monoimide, with Pt σ-Bonded Directly to the Perylene Core
  作者：Sergio Lentijo、Jesús A. Miguel、Pablo Espinet

  DOI：10.1021/ic1003319

  日期：2010.10.18

  3-Bromoperylene (BrPer) or N-(2,5-di-tert-butylphenyl)-9-bromo-perylene-3,4-dicarboximide (BrPMI) react with [Pt(PEt3)(4)] to yield trans-[PtR(PEt3)(2)Br] (R = Per, la; R = PMI, lb). Neutral and cationic perylenyl complexes containing a Pt(PEt3)X group have been prepared from la,b by substitution of the Br ligand by a variety of other ligands (NCS, ON, NO3, (CNBu)-Bu-t, PyMe). The X-ray structures of trans-[PtR(PEt3)(2)X] (R = Per, X = NCS (2a); R = PMI, X = NO3 (4b); R = Per, X = (CNBu)-Bu-t (5a)) show that the perylenyl fragment remains nearly planar and is arranged almost orthogonal to the coordination plane: The three molecules appear as individual entities in the solid state, with no pi-pi stacking of perylenyl rings. Each platinum complex exhibits fluorescence associated to the perylene or PMI fragments with emission quantum yields, in solution at room temperature, in the range 0.30-0.80 and emission lifetimes similar to 4 ns, but with significantly different emission maxima, by influence of the X ligands on Pt. The similarity of the overall luminescence spectra of these metalated complexes with the perylene or PMI strongly suggests a perylene-dominated intraligand pi-pi(star) emissive state, metal-perturbed by interaction of the platinum fragment mostly via polarization of the Ar-Pt bond.