3-Hydroxy-1,2-dihydro-inden-4-one | 134331-10-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Hydroxy-1,2-dihydro-inden-4-one
• CAS: 134331-10-5
• 化学式: C₉H₈O₂
• 分子量: 148.161
• InChiKey: ZTJVLASZRAOHRH-UHFFFAOYSA-N

物化性质

• 沸点：
  373.0±25.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.66
• 重原子数：
  11.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  7-羟基-1-茚酮 生成 3-Hydroxy-1,2-dihydro-inden-4-one
  参考文献：
  名称：

  微调激发态分子内质子转移 (ESIPT) 的能量：单个 ESIPT 系统中的白光生成

  摘要：

  以 7-羟基-1-茚满酮为原型 (I)，表现出激发态分子内质子转移 (ESIPT)，通过苯（分子 II）在 C(2)-C(3) 位置进行化学改性和萘环，（分子III）。I 经历了超快的 ESIPT 速率，导致独特的互变异构体发射（λ（max）~530 nm），而 II 和 III 的激发态平衡被建立，这得到了双发射和相关弛豫动力学的支持。II 和 III 的正向 ESIPT（质子转移互变异构体正常）速率分别推导出为 (30 ps)(-1) 和 (22 ps)(-1)，而反向 ESIPT 速率为 (11 ps )(-1) 和 (48 ps)(-1)。因此计算出的 ESIPT 平衡常数对于 II 和 III 分别为 0.37 和 2.2，相应的自由能变化为 0.59 和 -0。正常和互变异构体之间为 47 kcal/mol。对于 III，固体中的正常和互变异构体发射分别在 435 和 580 nm

  DOI：

  10.1021/ja2062693

文献信息

• ORGANIC OPTOELECTRONIC APPARATUS
  申请人：OSRAM OLED GmbH

  公开号：US20170125695A1

  公开（公告）日：2017-05-04

  The invention relates to an organic optoelectronic apparatus comprising: a first electrode ( 2 ), a radiation-emitting region ( 4 ) arranged between the first and second electrodes, and a second electrode ( 9 ), wherein the first and second electrodes can inject charge carriers of different polarity into the radiation-emitting region, wherein the radiation-emitting region ( 4 ) has a dual emitter and a further emitter, wherein the further emitter is transferred by the charge carrier into an electronically excited state and, on the transition into the basic electronic state from this electronically excited state, emits radiation, and wherein the dual emitter has a first electronically excited state and a second electronically excited state, which can be reached from the first electronically excited state by intramolecular proton transfer or intramolecular charge transfer, and the dual emitter has an emission starting from the second electronically excited state into a second basic state. The radiation emitted by this apparatus has an improved CRI value owing to the simultaneous use of a dual emitter and a further emitter.
• Optoelectronic Device, Use of a Dual Emitter as Wavelength Conversion Material
  申请人：OSRAM OLED GmbH

  公开号：US20170324007A1

  公开（公告）日：2017-11-09

  An optoelectronic apparatus is disclosed. In an embodiment, the apparatus includes at least one wavelength conversion region which includes at least one dual emitter as wavelength conversion material, wherein the wavelength conversion region converts primary radiation at least in part into secondary radiation, and wherein the dual emitter includes a first electronic base state and a second electronic base state, together with a first electronically excited state and a second electronically excited state which may be reached from the first electronically excited state. The dual emitter further includes emission proceeding from the second electronically excited state into the second base state.
• US9954147B2
  申请人：——

  公开号：US9954147B2

  公开（公告）日：2018-04-24