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Self-assembly of supramolecular architectures based on polybromide anions: crystal structure of [(H(4)tppz(4+))(Br-)(2)(Br-4(2-)] [tppz = tetra(2-pyridyl)pyrazine]

Self-assembly of supramolecular architectures based on polybromide anions: crystal structure of [(H(4)tppz(4+))(Br-)(2)(Br-4(2-)] [tppz = tetra(2-pyridyl)pyrazine]
Self-assembly of supramolecular architectures based on polybromide anions: crystal structure of [(H(4)tppz(4+))(Br-)(2)(Br-4(2-)] [tppz = tetra(2-pyridyl)pyrazine]
The reaction between tetra(2-pyridyl)pyrazine (tppz) and molecular bromine afforded [(H-4 tppz(4+))(Br-)(2)(Br-4(2-))], characterised by means of FT-Raman spectroscopy and single-crystal X-ray diffraction. The crystal structure showed that the final framework can be considered as being made up by the self-assembly of the building blocks (Br-, Br-2, H(4)tppz(4+)), driven exclusively by non-covalent interactions. The nature and positions of FT-Raman peaks for the linear symmetric Br-4(2-) ion were interpreted based on MP2/ LanL2DZ calculations.
bromine, nitrogen donors, dft and mp2 calculations, ft-raman spectroscopy, x-ray diffraction, polyiodide networks, molecules, adducts
79-82
Aragoni, M. Carla
3e73ed7a-2cf7-4f5e-9359-61d6e34a6cd5
Arca, Massimiliano
f90b59f6-4dfb-471d-912e-3515e6507165
Devillanova, Francesco A.
a1015716-6d8a-4517-aac8-593b78e91561
Hursthouse, Michael B.
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da
Huth, Susanne L.
b1cb7019-3459-4842-9d38-6db10f67384d
Isaia, Francesco
11f997fe-81a3-4298-bbdc-15e5f2bf18cc
Lippolis, Vito
d9833a14-4aab-4827-a2ba-be818871dcf5
Mancini, Annalisa
da134433-ee68-449c-9d2f-cad90b37a553
Ogilvie, Helen
667a68cc-7f86-47e6-a7fb-e9d3b7fdd488
Aragoni, M. Carla
3e73ed7a-2cf7-4f5e-9359-61d6e34a6cd5
Arca, Massimiliano
f90b59f6-4dfb-471d-912e-3515e6507165
Devillanova, Francesco A.
a1015716-6d8a-4517-aac8-593b78e91561
Hursthouse, Michael B.
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da
Huth, Susanne L.
b1cb7019-3459-4842-9d38-6db10f67384d
Isaia, Francesco
11f997fe-81a3-4298-bbdc-15e5f2bf18cc
Lippolis, Vito
d9833a14-4aab-4827-a2ba-be818871dcf5
Mancini, Annalisa
da134433-ee68-449c-9d2f-cad90b37a553
Ogilvie, Helen
667a68cc-7f86-47e6-a7fb-e9d3b7fdd488

Aragoni, M. Carla, Arca, Massimiliano, Devillanova, Francesco A., Hursthouse, Michael B., Huth, Susanne L., Isaia, Francesco, Lippolis, Vito, Mancini, Annalisa and Ogilvie, Helen (2005) Self-assembly of supramolecular architectures based on polybromide anions: crystal structure of [(H(4)tppz(4+))(Br-)(2)(Br-4(2-)] [tppz = tetra(2-pyridyl)pyrazine]. Inorganic Chemistry Communications, 8 (1), 79-82. (doi:10.1016/j.inoche.2004.11.014).

Record type: Article

Abstract

The reaction between tetra(2-pyridyl)pyrazine (tppz) and molecular bromine afforded [(H-4 tppz(4+))(Br-)(2)(Br-4(2-))], characterised by means of FT-Raman spectroscopy and single-crystal X-ray diffraction. The crystal structure showed that the final framework can be considered as being made up by the self-assembly of the building blocks (Br-, Br-2, H(4)tppz(4+)), driven exclusively by non-covalent interactions. The nature and positions of FT-Raman peaks for the linear symmetric Br-4(2-) ion were interpreted based on MP2/ LanL2DZ calculations.

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Published date: 2005
Keywords: bromine, nitrogen donors, dft and mp2 calculations, ft-raman spectroscopy, x-ray diffraction, polyiodide networks, molecules, adducts

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Local EPrints ID: 20702
URI: https://eprints.soton.ac.uk/id/eprint/20702
PURE UUID: 0a308e4d-f68e-4e7b-a198-6d47dabe2fd9

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Date deposited: 28 Feb 2006
Last modified: 17 Jul 2017 16:28

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Contributors

Author: M. Carla Aragoni
Author: Massimiliano Arca
Author: Francesco A. Devillanova
Author: Susanne L. Huth
Author: Francesco Isaia
Author: Vito Lippolis
Author: Annalisa Mancini
Author: Helen Ogilvie

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