Molecular architecture using novel types of non-covalent π-interactions involving aromatic neutrals, aromatic cations and π-anions
SCIE
SCOPUS
- Title
- Molecular architecture using novel types of non-covalent π-interactions involving aromatic neutrals, aromatic cations and π-anions
- Authors
- Saikat Kumar Seth; Prankrishna Manna; N. Jiten Singh; Monojit Mitra; Atish Dipankar Jana; Amrita Das; Somnath Ray Choudhury; Tanusree Kar; Subrata Mukhopadhyay; Kim, KS
- Date Issued
- 2013-02
- Publisher
- RSC Publishing
- 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 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).
- Keywords
- DER-WAALS COMPLEXES; BIOLOGICAL RECOGNITION; STACKING INTERACTIONS; BENZENE DIMER; BINDING; SYSTEMS; DERIVATIVES; ENERGY; CLUSTERS; SURFACE
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/13132
- DOI
- 10.1039/C2CE26577J
- ISSN
- 1466-8033
- Article Type
- Article
- Citation
- CRYSTENGCOMM, vol. 15, no. 7, page. 1285 - 1288, 2013-02
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