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Issue 7, 2013
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Molecular architecture using novel types of non-covalent π-interactions involving aromatic neutrals, aromatic cations and π-anions

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Abstract

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).

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

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Supplementary files

Article information


Submitted
28 Sep 2012
Accepted
04 Dec 2012
First published
02 Jan 2013

CrystEngComm, 2013,15, 1285-1288
Article type
Communication

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

S. K. Seth, P. Manna, N. J. Singh, M. Mitra, A. D. Jana, A. Das, S. R. Choudhury, T. Kar, S. Mukhopadhyay and K. S. Kim, CrystEngComm, 2013, 15, 1285
DOI: 10.1039/C2CE26577J

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