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On the cation–π capabilities of small all sp2-carbon host structures. Evaluation of [6.8]3cyclacene from relativistic DFT calculations

Ortolan A.O. et al.
Repositorio de Universidad Autónoma de Chile. · Papers
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bondingcharge-transferdfthost
Cation–π interactions are noncovalent forces with essential roles in the stability of protein structures, molecular recognition, and host–guest chemistry. In this work, we discuss the formation of cation–π complexes involving one of the smallest characterized nanobelts to date, given [6.8]3cyclacene
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