Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 114, Issue 12, Pages 4166-4170Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp910129u
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Funding
- University Grants Commission (New Delhi) [F. 30-1/2009 (SA-II)]
- DST
- KOSEF [R32-2008-000-10180-0, 2009-0063312]
- BK21 (KRF)
- GRL (KICOS)
- KISTI [KSC-2008-K08-0002]
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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.
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