Molecular architecture using novel types of non-covalent pi-interactions involving aromatic neutrals, aromatic cations and pi-anions
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- Molecular architecture using novel types of non-covalent pi-interactions involving aromatic neutrals, aromatic cations and pi-anions
- Seth, Saikat Kumar; Manna, Prankrishna; Singh, N. Jiten; Mitra, Monojit; Jana, Atish Dipankar; Das, Amrita; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Kim, Kwang S.
- DER-WAALS COMPLEXES; BIOLOGICAL RECOGNITION; STACKING INTERACTIONS; BENZENE DIMER; BINDING; SYSTEMS; DERIVATIVES; ENERGY; CLUSTERS; SURFACE
- Issue Date
- ROYAL SOC CHEMISTRY
- CRYSTENGCOMM, v.15, no.7, pp.1285 - 1288
- 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 pi(+)-pi(+) interactions are the major driving force in the crystal packing, while pi(+)-pi, pi-pi, pi-anion and pi(+)-anion interactions assist the overall stabilization of self-assembly. In addition, we also identify the cation-mediated non-covalent interaction between two pi anions (pi(-)-pi(-) interaction). The interaction energies of the important driving forces (pi(+)-pi(+), pi(+)-pi, pi-anion, pi(+)-anion, and pi(-)-pi(-) interactions) observed in the crystal structure are calculated using dispersion-corrected density functional theory (DFT-D).
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