title: Intriguing pi(+)-pi Interaction in crystal packing.
abstract: The pi(+)-pi interactions are utilized to design the solid-state assembly of host-guest complexes where guests are anions. The doubly protonated MPTPH(2) (MPTP = 4'-(4-methoxyphenyl)-2,2':6',2''-terpyridine) complexed with H(2)O 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 MPTPH(2)(Cl)(2).2H(2)O or MPTPH(2)(Br)(2).2H(2)O facilitates the crystal packing, since the pi(+)-pi interactions play an important role in the solid-state assembly.
authors.affiliation: Department of Chemistry, Jadavpur University, Kolkata 700 032, India.
authors.forename: Amrita
authors.initials: A
authors.lastname: Das
authors.forename: Atish Dipankar
authors.initials: AD
authors.lastname: Jana
authors.forename: Saikat Kumar
authors.initials: SK
authors.lastname: Seth
authors.forename: Biswajit
authors.initials: B
authors.lastname: Dey
authors.forename: Somnath Ray
authors.initials: SR
authors.lastname: Choudhury
authors.forename: Tanusree
authors.initials: T
authors.lastname: Kar
authors.forename: Subrata
authors.initials: S
authors.lastname: Mukhopadhyay
authors.forename: N Jiten
authors.initials: NJ
authors.lastname: Singh
authors.forename: In-Chul
authors.initials: IC
authors.lastname: Hwang
authors.forename: Kwang S
authors.initials: KS
authors.lastname: Kim
mesh_terms: D003460:Crystallization; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008958:Models, Molecular