Tang D.,Center for Molecular Design |
Chen Z.,Haimen Wisdom Pharmaceutical Co |
Hu J.,Center for Molecular Design |
Sun G.,Center for Molecular Design |
And 2 more authors.
Physical Chemistry Chemical Physics | Year: 2012
The mechanism of the CO oxidation promoted by a neutral Ag55 cluster was investigated extensively, using density functional theory calculations. The CO oxidation process catalyzed by anionic and cationic Ag 55 clusters was also studied, to clarify the effects of the charge state. The Eley-Rideal (ER) and Langmuir-Hinshelwood (LH) mechanisms were discussed in detail. Six reaction pathways were found for the Ag 55-mediated CO oxidation. It was found that the ER mechanism competed with the LH mechanism. The rate-limiting step of the CO oxidation was the reaction of CO with the Ag55O species. All of the anionic, neutral, and cationic Ag55 clusters were able to promote CO oxidation at low temperatures. The present results enrich our understanding of the catalytic oxidation of CO by nano-sized Ag-based catalysts. © 2012 the Owner Societies.
Li H.-M.,China National Pharmaceutical Group Corporation |
Zou P.,Haimen Wisdom Pharmaceutical Co. |
Li B.-J.,Haimen Wisdom Pharmaceutical Co. |
Du J.-C.,China National Pharmaceutical Industry Co. |
Weng S.-Q.,China National Pharmaceutical Industry Co.
Chinese Journal of New Drugs | Year: 2012
Objective: To synthesize 4-pyridinylbutanol. Methods: The target compound was prepared from 4-bromopyridine hydrochloride via 4 steps, including condensation, salification, hydrolysis and basification. Results and Conclusion: The chemical structure of the target compound was confirmed by 1H-NMR. All the raw materials are conveniently obtained and the reaction condition is comfortable for industrial manufacture. The total yield was 65.1% after applying the improved process.