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Stacking interactions as the principal design element in acyl-transfer catalysts†
Yin Wei,Ingmar Held,Hendrik Zipse
Organic & Biomolecular Chemistry Pub Date : 10/13/2006 00:00:00 , DOI:10.1039/B610140B
Abstract

The conformational properties and the stability of acylpyridinium intermediates formed in pyridine-catalyzed acylation reactions have been studied at the SCS-MP2(FC)/6-311+G(d,p)//MP2(FC)/6-31G(d) level of theory. It has been shown that stacking interactions can play a decisive role in the stability as well as the conformational preferences of these transient intermediates.

Graphical abstract: Stacking interactions as the principal design element in acyl-transfer catalysts
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