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Theoretical ab initio study of anion–π interactions in inorganic rings

✍ Scribed by Antonio Bauzá; David Quiñonero; Pere M. Deyà; Antonio Frontera

Book ID
113555492
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
635 KB
Volume
530
Category
Article
ISSN
0009-2614

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A Theoretical Study of Anion–π Interacti
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✍ David Quiñonero; Antonio Frontera; Daniel Escudero; Pablo Ballester; Antonio Cos 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 410 KB

## 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.