期刊
CHEMICAL COMMUNICATIONS
卷 51, 期 2, 页码 318-321出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c4cc05720a
关键词
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资金
- 973 Program [2011CB808600, 2012CB725302]
- National Natural Science Foundation of China [21390400, 21025206, 21272180, 21302148, 21372266, 51302327]
- Research Fund for the Doctoral Program of Higher Education of China [20120141130002]
- Program for Changjiang Scholars and Innovative Research Team in University [IRT1030]
- U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
- Department of Energy
- MRCAT member institutions
- Chemical Sciences and Engineering Division at Argonne National Laboratory
In situ infrared (IR) and X-ray absorption near-edge structure (XANES) spectroscopic investigations reveal that different halide ligands have distinct effects on the aerobic oxidation of Cu(I) to Cu(II) in the presence of TMEDA (tetramethylethylenediamine). The iodide ligand gives the lowest rate and thus leads to the lowest catalytic reaction rate of aerobic oxidation of hydroquinone to benzoquinone. Further DFT calculations suggest that oxidation of CuI-TMEDA involves a side-on transition state, while oxidation of CuCl-TMEDA involves an end-on transition state which has a lower activation energy.
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