journal article·2026-06-11Open access

Adaptive Coordination Engineering for Efficient and Robust H 2 Release

Xiaolin Jiang, Xiaoyang Yan, Shenglong Jiang, Hongdan Zhu, Heng Wang, Xiaopeng Li, Xiaochun Zhou, Mingdong Zhou, Qian Peng

Abstract

ABSTRACT Efficient regulation of β‐H activation and its subsequent elimination remains a notorious challenge owing to stringent inherent geometric and electronic constraints. To overcome the high kinetic barriers, it necessitates a precise catalyst to effectively orchestrate the metal‐substrate interaction. Herein, we report a molecular Pd 1 ‐Ag 2 model using a tridentate phosphine ligand ( L2 ) and formate bridges, which integrates the effect of double silver synergy and nitrate anion regulation, and serves as the core origin to facilitate efficient β‐H elimination. Such bimetallic cooperation optimizes the reaction pathway and realizes rapid hydrogen production with complete CO‐free characteristics, endowing prominent industrial advantages over monometallic counterparts. Under ambient air at 60°C, this catalyst delivers excellent activity and satisfactory recyclability. DFT calculations confirm that the rate‐determining β‐H elimination step of monometallic Pd systems is effectively optimized, and in situ spectroscopic measurements further verify the stable proximal Pd‐Ag synergistic coordination throughout the reaction.
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Research context

OpenAlex topics: Asymmetric Hydrogenation and Catalysis · Catalytic C–H Functionalization Methods · Organometallic Complex Synthesis and Catalysis

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Digital and Intelligent Empowerment Biomedical Innovation Center School of Pharmacy Shanghai University of Medicine and Health Sciences Shanghai P. R. China

State Key Laboratory of Elemento‐organic Chemistry Tianjin Key Laboratory of Biosensing and Molecular Recognition College of Chemistry Frontiers Science Center For New Organic Matter Nankai University Tianjin P. R. China

College of Chemical Engineering Shenyang University of Chemical Technology Shenyang P. R. China

State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic Chemistry Chinese Academy of Sciences (CAS) Shanghai P. R. China

Division of Advanced Nanomaterials Suzhou Institute of Nano‐tech and Nano‐bionics Chinese Academy of Sciences (CAS) Suzhou P. R. China

Funding

National Key Research and Development Program of China · National Natural Science Foundation of China · Natural Science Foundation of Tianjin Municipality

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