Carboxylate and coordination influence on the formation of an active Ru

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Tác giả: Biswanath Das, Kevin M Dorst, Jamal El-Abid, Andrew K Inge, Priyank V Kumar, Varun Kundi, Anders Thapper, Oscar Verho

Ngôn ngữ: eng

Ký hiệu phân loại: 155.911 Influence of sensory stimuli

Thông tin xuất bản: England : Scientific reports , 2025

Mô tả vật lý:

Bộ sưu tập: NCBI

ID: 204562

Understanding the structure of Ru(V)-oxo species is crucial for designing novel catalysts for sustainable energy applications, such as water splitting for green hydrogen production. This study reports the EPR detection of a Ru(V)-oxo intermediate stabilized by terpyridine and phenanthroline carboxylate ligands. The interaction between the carboxylate group and the ruthenium center, along with PCET-dependent hemilability under oxidative conditions, plays a critical role in achieving the high-valent state. Subtle changes in the coordination environment around the central metal also proved to be essential. Low-temperature NMR, high-resolution mass spectrometry, UV-Vis spectroscopy, and density functional theory calculations support these findings.
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