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A Theoretical Investigation of the Geometries and Binding Energies of Molecular Tweezer and Clip Host−Guest Systems

✍ Scribed by Parac, Maja; Etinski, Mihajlo; Peric, Miljenko; Grimme, Stefan


Book ID
127038659
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
504 KB
Volume
1
Category
Article
ISSN
1549-9618

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A study of a host-guest system consisting of a naphthalene-spaced tweezer with a 1,4 dicyanobenzene guest molecule is presented. The complex is investigated using a combination of quantum-chemical calculations and solid-state NMR experiments. The advantages of such an approach are illustrated. The f