Photophysical Properties of Simple Palladium(0) Complexes Bearing Triphenylphosphine Derivatives

Daichi Kakizoe, Michihiro Nishikawa, Takuma Ohkubo, Masashi Sanga, Munetaka Iwamura, Koichi Nozaki, Taro Tsubomura*

*この論文の責任著者

研究成果: ジャーナルへの寄稿学術論文査読

8 被引用数 (Scopus)

抄録

Pd(0) complexes with monodentate phosphine ligands, [Pd(P)n] (n = 3, 4), are well-known catalysts. However, the nature of the Pd(0) complex, especially the basic photophysical properties of the Pd(0) complexes, has not been extensively explored. In this work, we measured the general photophysical properties and crystal structures of Pd(0)-bearing PPh3 derivatives in the solid state and in solution. In the solid state, four-coordinated Pd(0) complexes exhibited blue-yellow emission. On the other hand, three-coordinated Pd(0) complexes displayed yellow-orange emission. In solution, orange emission of three-coordinated complexes was observed, and prompt fluorescence was detected using time-resolved emission spectroscopy, which suggests a thermally activated delayed fluorescence mechanism. Density functional theory (DFT) and time-dependent DFT calculations show that the difference in the transition mechanism between the [Pd(PPh3)4] and [Pd(PPh3)3] complexes explains the different emission colors. The emitting states of both complexes have metal-To-ligand charge-Transfer character, but the metal-centered d → p transition is considerably incorporated for emission of the tris complex.

本文言語英語
ページ(範囲)9516-9528
ページ数13
ジャーナルInorganic Chemistry
60
13
DOI
出版ステータス出版済み - 2021/07/05

ASJC Scopus 主題領域

  • 物理化学および理論化学
  • 無機化学

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