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Modeling the Supramolecular Properties of Aliphatic-Aromatic Hydrocarbons with Convex–Concave Topology

✍ Scribed by Markus Kamieth; Frank-Gerrit Klärner; François Diederich


Publisher
John Wiley and Sons
Year
1998
Tongue
English
Weight
266 KB
Volume
37
Category
Article
ISSN
0044-8249

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✦ Synopsis


The molecular tweezers 1 a and 1 b have an electrostatic potential on the concave sides of the molecule which is surprisingly negative for hydrocarbons. According to semiempirical calculations this is a general phenomenon in nonconjugated π-electron systems with concave-convex topology, and it explains the receptor properties of 1 a and 1 b.