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Anion−π Interactions in Bisadenine Derivatives: A Combined Crystallographic and Theoretical Study

✍ Scribed by Garcia-Raso, Angel; Albertí, Francisca M.; Fiol, Juan J.; Tasada, Andres; Barceló-Oliver, Miquel; Molins, Elies; Escudero, Daniel; Frontera, Antonio; Quiñonero, David; Deyà, Pere M.

Book ID
120737297
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
702 KB
Volume
46
Category
Article
ISSN
0020-1669

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## Abstract Several complexes of tropylium (**1**) with anions are optimized at the RI‐MP2(full)/6‐31++G\*\* level of theory. This binding unit can interact very favorably with anions, and it combines the strength of the electrostatic interaction with the directionality of the anion–π interaction.