Intriguing pi(+)-pi Interaction in Crystal Packing
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SCOPUS
- Title
- Intriguing pi(+)-pi Interaction in Crystal Packing
- Authors
- Das, A; Jana, AD; Seth, SK; Dey, B; Choudhury, SR; Kar, T; Mukhopadhyay, S; Singh, NJ; Hwang, IC; Kim, KS
- Date Issued
- 2010-04-01
- Publisher
- AMER CHEMICAL SOC
- Abstract
- The pi(+)-pi interactions are utilized to design the solid-state assembly of host-guest complexes where guests are anions. The doubly protonated MPTPH2 (MPTP = 4'-(4-methoxyphenyl)-2,2':6', 2 ''-terpyridine) complexed with H2O and Cl- or Br- are synthesized, crystallized, and characterized by X-ray analysis. By using the density functional theory calculations which can properly describe the dispersion energy, the assembling phenomena are analyzed in terms of pi(+)-pi and pi-pi interactions as well as H-bonding interactions. The planar structure of MPTPH2(Cl)(2)center dot 2H(2)O or MPTPH2(Br)(2)center dot 2H(2)O facilitates the crystal packing, since the interactions play in important role in the solid-state assembly.
- Keywords
- CATION-PI INTERACTIONS; DER-WAALS COMPLEXES; ANION RECEPTORS; AROMATIC INTERACTIONS; BENZENE DIMER; BIOLOGICAL RECOGNITION; INTERACTION ENERGIES; BINDING; STACKING; SYSTEMS
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/25742
- DOI
- 10.1021/JP910129U
- ISSN
- 1520-6106
- Article Type
- Article
- Citation
- JOURNAL OF PHYSICAL CHEMISTRY B, vol. 114, no. 12, page. 4166 - 4170, 2010-04-01
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