Water-chloride and water-bromide hydrogen-bonded networks: Influence of the nature of the halide ions on the stability of the supramolecular assemblies

Biswajit Dey, Somnath Ray Choudhury, Patrick Gamez, Attilio Vittorio Vargiu, Arturo Robertazzi, Chih Yuan Chen, Hon Man Lee, Atish Dipankar Jana, Subrata Mukhopadhyay

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Two compounds, namely, [TTPH2](C1)2·4H 2O (1) and [TTPH2](Br)2·4H2O (2), (TTP = 4′-p-tolyl-2,2′:6′,2"-terpyridine) were synthesized from purely aqueous media and characterized by physical techniques. In the solid-state structures of these compounds, interesting supramolecular assemblies are observed. In 1, an unusual staircase-like architecture of the tape of edge-shared planar water hexamer is of importance, where the chloride ions are at the two edges of the tape. In 2, the polymeric nature of the water-bromide assembly is of interest, where discrete open-cube water octamers are doubly bridged by bromide ions. Semiempirical and DFT calculations confirm that the nature of the anion indeed affects the topology of the water-halide assemblies. We conclude that the protonated [TTPH2]2+ species can act as appropriate receptors for halide ions, which in turn act as a matrix for the formation of polymeric 1D water-halide assemblies.

Original languageEnglish
Pages (from-to)8626-8634
Number of pages9
JournalJournal of Physical Chemistry A
Issue number30
Publication statusPublished - 2009 Jul 30


All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

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