• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>RSC Advances >Heteroleptic iridium(III) complexes bearing a coumarin moiety: an experimental and theoretical investigation
【24h】

Heteroleptic iridium(III) complexes bearing a coumarin moiety: an experimental and theoretical investigation

机译：带有香豆素部分的杂多铱（III）配合物：实验和理论研究

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Orange coloured complexes with the general formula [Ir(2-pypy)(2)(L)] have been synthesized in excellent yields by reacting [Ir(2-pypy) 2(Cl)] 2 with HL in a ratio of 1 : 1 in a 1 : 1 mixture of ethanol and dichloromethane in an argon atmosphere. Herein, L- is the deprotonated aldimine form of 7-hydroxy-4-methyl-2-oxo-2H-chromene-8-carbaldehyde and 1-napthylamine (HL1), 2-aminoanthracene (HL2) and 2-aminofluorene (HL3), respectively. The elemental analysis and ESI mass spectroscopic measurements ensured the formation of the desired complexes. The molecular structure of [Ir(2-pypy)(2)(L-1)] was confirmed by single-crystal X-ray diffraction. The complexes were also characterized by different spectroscopic techniques. The ground and excited-state geometries, NMR, absorption, and phosphorescence properties of the three Ir(III) complexes were examined by DFT and TDDFT methods. The natural transition orbital (NTO) and spin density difference map analysis reveals the nature of excitations. The lowest lying triplet excited state is associated with the (IL)-I-3 and 3ML excited state. The emission-like transition is consistent with the strong (ILCT)-I-3 and (MLCT)-M-3 character.
机译：通式[Ir（2-pypy）（2）（L）]的橙色配合物通过[Ir（2-pypy）2（Cl）] 2与HL的比例为1：在氩气气氛中，在乙醇和二氯甲烷的1：1混合物中以1的比例混合。在此，L-是7-羟基-4-甲基-2-氧代-2-氧-2H-色烯-8-甲醛和1-萘胺（HL1），2-氨基蒽（HL2）和2-氨基芴（HL3）的去质子化亚胺形式。 ， 分别。元素分析和ESI质谱测量确保了所需络合物的形成。通过单晶X射线衍射确认了[Ir（2-pypy）（2）（L-1）]的分子结构。配合物还通过不同的光谱技术表征。通过DFT和TDDFT方法检查了三种Ir（III）配合物的基态和激发态几何形状，NMR，吸收和磷光性质。自然跃迁轨道（NTO）和自旋密​​度差图分析揭示了激发的本质。最低的三线态激发态与（IL）-I-3和3ML激发态相关。类似于发射的过渡与强（ILCT）-I-3和（MLCT）-M-3特征一致。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号