Molecular architecture using novel types of non-covalent π-interactions involving aromatic neutrals, aromatic cations and π-anions

By Saikat Kumar Seth, Prankrishna Manna, N. J. Singh, M. Mitra, A. D. Jana, Amrita Das, S. R. Choudhury, T. Kar, S. Mukhopadhyay, Kwang Soo Kim. 2013

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A solid-state complex utilizing non-covalent interactions between two aromatic cations is synthesized and characterized. The X-ray study of the structure shows that the anion templated π+–π+ interactions are the major driving force in the crystal packing, while π+–π, π–π, π–anion and π+–anion interactions assist the overall stabilization of self-assembly. In addition, we also identify the cation-mediated non-covalent interaction between two π anions (π−–π− interaction). The interaction energies of the important driving forces (π+–π+, π+–π, π–anion, π+–anion, and π−–π− interactions) observed in the crystal structure are calculated using dispersion-corrected density functional theory (DFT-D).

Subfields: Materials Chemistry, Organic Chemistry, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/0bc82769231d43625c8d45fb525c6349cb89d17e