Time-resolved X-Ray Absorption Spectroscopy of Solvated [Ru(m-bpy)3]2+ Complex: Electronic Structures of 3dd State,Bulletin of the Korean Chemical Society

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Time-resolved X-Ray Absorption Spectroscopy of Solvated [Ru(m-bpy)3]2+ Complex: Electronic Structures of 3dd State
Bulletin of the Korean Chemical Society ( IF 2.3 ) Pub Date : 2021-08-06 , DOI: 10.1002/bkcs.12377
Rory Ma ₁ , Kiryong Hong ₂ , Yujin Kim ₃ , Jae Hyuk Lee ₁ , Tae Kyu Kim ₃

Affiliation

Ru L₃-edge time-resolved X-ray absorption spectroscopy (TR-XAS) was applied to unravel photo-induced excited state dynamics of solvated [Ru(m-bpy)₃]²⁺ (m-bpy = 6-methyl-2,2′-bipyridine) complex. The Ru L₃-edge probes 2p core-level transitions, enabling to monitor the electronic structure of excited ³dd state. TR-XAS and time-dependent density functional theory were utilized to directly visualize the charge density of ³dd state around the Ru atom during the relaxation cascade of [Ru(m-bpy)₃]²⁺ complex. The formation of ³dd state is attributed to the reduced effective ligand field strength, which was derived from the TR-XAS of ³dd state at 100 ps. These results highlight the role of ligand-field ³dd state in the photo-induced relaxation dynamics of [Ru(m-bpy)₃]²⁺ complex.

中文翻译：

溶剂化 [Ru(m-bpy)3]2+ 络合物的时间分辨 X 射线吸收光谱：3dd 态的电子结构

Ru L ₃ -edge 时间分辨 X 射线吸收光谱 (TR-XAS) 用于解开溶剂化 [Ru(m-bpy) ₃ ] ²⁺ (m-bpy = 6-methyl- 2,2'-联吡啶）复合物。Ru L ₃ -edge 探测 2p 核能级跃迁，能够监测激发³ dd 态的电子结构。在[Ru(m-bpy) ₃ ] ^{2+ 配合}物的弛豫级联过程中，TR-XAS 和瞬态密度泛函理论被用来直接可视化Ru 原子周围³ dd 态的电荷密度。³的形成dd 状态归因于有效配体场强的降低，其源自100 ps 时³ dd 状态的 TR-XAS 。这些结果突出了配体场³ dd 状态在 [Ru(m-bpy) ₃ ] ^{2+ 配合}物的光致弛豫动力学中的作用。

更新日期：2021-08-06

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