title: Water-chloride and water-bromide hydrogen-bonded networks: influence of the nature of the halide ions on the stability of the supramolecular assemblies.
abstract: Two compounds, namely, [TTPH(2)](Cl)(2) x 4 H(2)O (1) and [TTPH(2)](Br)(2) x 4 H(2)O (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 [TTPH(2)](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.
authors: Department of Chemistry, Jadavpur University, Kolkata 700 032, India.
authors: Biswajit
authors: B
authors: Dey
authors: Somnath Ray
authors: SR
authors: Choudhury
authors: Patrick
authors: P
authors: Gamez
authors: Attilio Vittorio
authors: AV
authors: Vargiu
authors: Arturo
authors: A
authors: Robertazzi
authors: Chih-Yuan
authors: CY
authors: Chen
authors: Hon Man
authors: HM
authors: Lee
authors: Atish Dipankar
authors: AD
authors: Jana
authors: Subrata
authors: S
authors: Mukhopadhyay
mesh_terms: D001965:Bromides / Q000737:chemistry*; D002712:Chlorides / Q000737:chemistry*; D006860:Hydrogen Bonding; D007477:Ions / Q000737:chemistry; D046911:Macromolecular Substances / Q000138:chemical synthesis* / Q000737:chemistry; D008958:Models, Molecular; D011725:Pyridines / Q000138:chemical synthesis* / Q000737:chemistry; D014867:Water / Q000737:chemistry*
chemical_list: C545335:4'-p-tolyl-2,2',6',2''-terpyridine; D001965:Bromides; D002712:Chlorides; D007477:Ions; D046911:Macromolecular Substances; D011725:Pyridines; D014867:Water