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Intriguing μ -μ interaction in crystal packing

Journal of Physical Chemistry B, ISSN: 1520-5207, Vol: 114, Issue: 12, Page: 4166-4170
2010
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Article Description

The μ -μ 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 HO 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 μ-μ and μ-μ interactions as well as H-bonding interactions. The planar structure of MPTPH(Cl)· 2HO or MPTPH(Br)·2HO facilitates the crystal packing, since the μ-μ interactions play an important role in the solid-state assembly. © 2010 American Chemical Society.

Bibliographic Details

Das, Amrita; Jana, Atish Dipankar; Seth, Saikat Kumar; Dey, Biswajit; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Singh, N Jiten; Hwang, In-Chul; Kim, Kwang S

American Chemical Society (ACS)

Chemistry; Materials Science

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