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Model Chemistry Calculations of Thiophene Dimer Interactions: Origin of π-Stacking

✍ Scribed by Tsuzuki, Seiji; Honda, Kazumasa; Azumi, Reiko

Book ID
125537800
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
183 KB
Volume
124
Category
Article
ISSN
0002-7863

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## Abstract π‐Stacked complexes formed by two, three, and four thiophene rings have been investigated using __abinitio__ quantum mechanical calculations. The relative orientation between the rings was investigated for each complex by exploring the corresponding potential energy surface at the MP2/6