Abstract
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 language | English |
|---|---|
| Pages (from-to) | 8626-8634 |
| Number of pages | 9 |
| Journal | Journal of Physical Chemistry A |
| Volume | 113 |
| Issue number | 30 |
| DOIs | |
| Publication status | Published - 2009 Jul 30 |
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All Science Journal Classification (ASJC) codes
- Physical and Theoretical Chemistry
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Water-chloride and water-bromide hydrogen-bonded networks : Influence of the nature of the halide ions on the stability of the supramolecular assemblies. / Dey, Biswajit; Choudhury, Somnath Ray; Gamez, Patrick; Vargiu, Attilio Vittorio; Robertazzi, Arturo; Chen, Chih Yuan; Lee, Hon Man; Jana, Atish Dipankar; Mukhopadhyay, Subrata.
In: Journal of Physical Chemistry A, Vol. 113, No. 30, 30.07.2009, p. 8626-8634.Research output: Contribution to journal › Article
TY - JOUR
T1 - Water-chloride and water-bromide hydrogen-bonded networks
T2 - Influence of the nature of the halide ions on the stability of the supramolecular assemblies
AU - Dey, Biswajit
AU - Choudhury, Somnath Ray
AU - Gamez, Patrick
AU - Vargiu, Attilio Vittorio
AU - Robertazzi, Arturo
AU - Chen, Chih Yuan
AU - Lee, Hon Man
AU - Jana, Atish Dipankar
AU - Mukhopadhyay, Subrata
PY - 2009/7/30
Y1 - 2009/7/30
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=67651204143&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=67651204143&partnerID=8YFLogxK
U2 - 10.1021/jp9005422
DO - 10.1021/jp9005422
M3 - Article
C2 - 19583236
AN - SCOPUS:67651204143
VL - 113
SP - 8626
EP - 8634
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
SN - 1089-5639
IS - 30
ER -