Dimethyl carbonate in the supercages of NaY zeolite: The role of local fields in promoting methylation and carboxymethylation activity

被引:47
作者
Bonino, F
Damin, A
Bordiga, S
Selva, M
Tundo, P
Zecchina, A
机构
[1] Univ Turin, Dept IFM Chem, I-10125 Turin, Italy
[2] Univ Turin, Ctr Excellence, NIS, I-10125 Turin, Italy
[3] INSTM, UdR Torino, Turin, Italy
[4] Univ Ca Foscari, Dept Environm Sci, I-30123 Venice, Italy
关键词
density functional calculations; green chemistry; IR spectroscopy; methylation; zeolites;
D O I
10.1002/anie.200500110
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
(Figure Presented) Insight into the catalytic activity of NaY zeolite in dimethyl carbonate based methylation and carboxymethylation reactions is provided by a combination of vibrational spectroscopy and DFT-based computational methods. The enhanced activity and selectivity is due to the electric fields present in the confined spaces of the supercages (see picture). © 2005 Wiley-VCH Verlag GmbH & Co. KGaA.
引用
收藏
页码:4774 / 4777
页数:4
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