These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Search MEDLINE/PubMed

  • Title: Intriguing pi(+)-pi Interaction in crystal packing.
    Author: Das A, Jana AD, Seth SK, Dey B, Choudhury SR, Kar T, Mukhopadhyay S, Singh NJ, Hwang IC, Kim KS.
    Journal: J Phys Chem B; 2010 Apr 01; 114(12):4166-70. PubMed ID: 20218591.
    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.
    [Abstract] [Full Text] [Related] [New Search]