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Author

Kim, Kwang S.
Center for Superfunctional Materials (CSM)
Research Interests
  • Theoretical/experimental nanosciences, molecular electronics spectroscopy, energy materials

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

Cited 22 times inthomson ciCited 11 times inthomson ci
Title
Molecular architecture using novel types of non-covalent pi-interactions involving aromatic neutrals, aromatic cations and pi-anions
Author
Seth, Saikat KumarManna, PrankrishnaSingh, N. JitenMitra, MonojitJana, Atish DipankarDas, AmritaChoudhury, Somnath RayKar, TanusreeMukhopadhyay, SubrataKim, Kwang S.
Keywords
DER-WAALS COMPLEXES; BIOLOGICAL RECOGNITION; STACKING INTERACTIONS; BENZENE DIMER; BINDING; SYSTEMS; DERIVATIVES; ENERGY; CLUSTERS; SURFACE
Issue Date
201302
Publisher
ROYAL SOC CHEMISTRY
Citation
CRYSTENGCOMM, v.15, no.7, pp.1285 - 1288
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).
URI
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DOI
http://dx.doi.org/10.1039/c2ce26577j
ISSN
1466-8033
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