期刊
JOURNAL OF ORGANIC CHEMISTRY
卷 80, 期 16, 页码 8150-8167出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.joc.5b01240
关键词
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资金
- National Science Foundation (CAREER) [CHE-0847262]
- University of Connecticut Office of Undergraduate Research
- Holster Scholars First-Year Project
- Stonehill College
A range of oxoammonium salt-based oxidation reactions have been explored computationally using density functional theory (DFT), and the results have been correlated with experimentally derived trends in reactivity. Mechanistically, most reactions involve a formal hydride transfer from an activated C-H bond to the oxygen atom of the oxoammonium cation. Several new potential modes of reactivity have been uncovered and validated experimentally.
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