title: Stacking interactions as the principal design element in acyl-transfer catalysts.
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.
authors.affiliation: Department Chemie und Biochemie, LMU München, Butenandtstrasse 5-13, D-81377, München, Germany.
authors.forename: Yin
authors.initials: Y
authors.lastname: Wei
authors.forename: Ingmar
authors.initials: I
authors.lastname: Held
authors.forename: Hendrik
authors.initials: H
authors.lastname: Zipse
mesh_terms: D000215:Acylation; D002384:Catalysis; D008956:Models, Chemical; D008958:Models, Molecular; D015394:Molecular Structure; D011725:Pyridines / Q000737:chemistry*
chemical_list: D011725:Pyridines