Oxophosphane;phenol

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: Oxophosphane;phenol
• 英文别名: oxophosphane;phenol
• 化学式: C6H7O2P
• 分子量: 142.09
• InChiKey: TZCUXCJKAZCQIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.87
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] ORGANIC ELECTROLUMINESCENT DEVICE AND A SOLID COMPOSITION FOR USE THEREIN<br/>[FR] DISPOSITIF ÉLECTROLUMINESCENT ORGANIQUE ET COMPOSITION SOLIDE DESTINÉE À ÊTRE UTILISÉE DANS CE DERNIER
  申请人：NOVALED GMBH

  公开号：WO2020120793A1

  公开（公告）日：2020-06-18

  Organic electroluminescent device comprising an anode, a cathode, at least one emission layer and an organic semiconducting layer; wherein the organic semiconducting layer is arranged between the at least one emission layer and the cathode; wherein the organic semiconducting layer comprises; a) a first organic compound comprising a first C10 to C42 arene structural moiety and/or a first C2 to C42 heteroarene structural moiety, wherein i) the dipole moment of the first organic compound, computed by the TURBOMOLE V6.5 program package using hybrid functional B3LYP and Gaussian 6-31G* basis set, is from o to 2.5 Debye; and ii) the LUMO energy level of the first organic compound in the absolute scale taking vacuum energy level as zero, computed by the TURBOMOLE V6.5 program package using hybrid functional B3LYP and Gaussian 6-31G* basis set, is in the range from -1.7 eV to -2,1 eV; and b) a second organic compound comprising a second C10 to C42 arene structural moiety and/or a second C2 to C42 heteroarene structural moiety and in addition at least one polar group selected from phosphine oxide and phosphine sulfide, wherein in) the dipole moment of the second organic compound, computed by the TURBOMOLE V6.5 program package using hybrid functional B3LYP and Gaussian 6-31G* basis set, is from 1.5 to 10 Debye; and iv) the LUMO energy level of the second organic compound in the absolute scale taking vacuum energy level as zero is less than 0,25 eV higher or lower than the LUMO energy level of the first organic compound; wherein it is provided that the first organic compound and the second organic compound are different from each other.

  有机电致发光器件，包括阳极、阴极、至少一个发射层和一个有机半导体层；其中有机半导体层设置在至少一个发射层和阴极之间；其中有机半导体层包括：a）第一有机化合物，包括第一C10到C42芳烃结构基和/或第一C2到C42杂芳烃结构基，其中i）第一有机化合物的偶极矩，由TURBOMOLE V6.5程序包使用混合泛函B3LYP和Gaussian 6-31G*基组计算，为0到2.5 Debye；和ii）第一有机化合物的LUMO能级在绝对尺度上，以真空能级为零计算，由TURBOMOLE V6.5程序包使用混合泛函B3LYP和Gaussian 6-31G*基组计算，范围为-1.7 eV到-2.1 eV；和b）第二有机化合物，包括第二C10到C42芳烃结构基和/或第二C2到C42杂芳烃结构基，以及至少一种磷氧化物和磷硫化物中选择的极性基团，其中iv）第二有机化合物的LUMO能级在绝对尺度上，以真空能级为零，比第一有机化合物的LUMO能级高或低不超过0.25 eV；规定第一有机化合物和第二有机化合物彼此不同。
• ORGANIC ELECTROLUMINESCENT DEVICE AND A SOLID COMPOSITION FOR USE THEREIN
  申请人：Novaled GmbH

  公开号：EP3895227A1

  公开（公告）日：2021-10-20
• Organic Electroluminescent Device and a Solid Composition for Use Therein
  申请人：Novaled GmbH

  公开号：US20220037595A1

  公开（公告）日：2022-02-03

  Organic electroluminescent device comprising an anode, a cathode, at least one emission layer and an organic semiconducting layer; wherein the organic semiconducting layer is arranged between the at least one emission layer and the cathode; wherein the organic semiconducting layer comprises; a) a first organic compound comprising a first C 10 to C 42 arene structural moiety and/or a first C 2 to C 42 heteroarene structural moiety, wherein i) the dipole moment of the first organic compound, computed by the TURBOMOLE V6 .5 program package using hybrid functional B3LYP and Gaussian 6- 31 G* basis set, is from 0 to 2.5 Debye; and ii) the LUMO energy level of the first organic compound in the absolute scale taking vacuum energy level as zero, computed by the TURBOMOLE V6 .5 program package using hybrid functional B 3 LYP and Gaussian 6- 31 G* basis set, is in the range from −1.7 eV to −2.1 eV; and b) a second organic compound comprising a second C 10 to C 42 arene structural moiety and/or a second C 2 to C 42 heteroarene structural moiety and in addition at least one polar group selected from phosphine oxide and phosphine sulfide, wherein in) the dipole moment of the second organic compound, computed by the TURBOMOLE V6 .5 program package using hybrid functional B 3 LYP and Gaussian 6- 31 G* basis set, is from 1.5 to 10 Debye; and iv) the LUMO energy level of the second organic compound in the absolute scale taking vacuum energy level as zero is less than 0.25 eV higher or lower than the LUMO energy level of the first organic compound; wherein it is provided that the first organic compound and the second organic compound are different from each other.
• [EN] ORGANIC LIGHT EMITTING DIODE AND DEVICE COMPRISING THE SAME<br/>[FR] DIODE ÉLECTROLUMINESCENTE ORGANIQUE ET DISPOSITIF LA COMPRENANT
  申请人：NOVALED GMBH

  公开号：WO2021250276A1

  公开（公告）日：2021-12-16

  The present invention relates to an organic light emitting diode comprising an anode, a cathode, a first emission layer, a second emission layer, a first charge generation, layer and a first electron transport layer stack; and to a display device or lighting device comprising the same.