期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 12, 期 8, 页码 1873-1878出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/b919831h
关键词
-
资金
- Australian government through an Australian Postgraduate Award
- UNSW
- Royal Society
Aromatic substitution of 1-fluoro-2,4-dinitrobenzene has been shown to proceed more rapidly in an ionic liquid than in ethanol, primarily due to entropic, rather than enthalpic, effects. By using molecular dynamics simulations, an anion-pi interaction appears to contribute to strong ordering within the starting material complex that accounts for the relative differences in the SNAr k.
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