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Reactions of pyridyl donors with halogens and interhalogens: an X-ray diffraction and FT-Raman investigation

Reactions of pyridyl donors with halogens and interhalogens: an X-ray diffraction and FT-Raman investigation
Reactions of pyridyl donors with halogens and interhalogens: an X-ray diffraction and FT-Raman investigation
Three different N-donors L, namely N-ethyl-N'-3-pyridyl-imidazolidine-4,5-dione-2-thione (1), N,N'-bis(3-pyridylmethyl)-imidazolidine-4,5-dione-2-thione (2), and tetra-2-pyridyl-pyrazine (3), bearing one, two and four pyridyl substituents, respectively, have been reacted with halogens X-2 (X = Br, I) or interhalogens XY (X = I; Y = Cl, Br). CT sigma-adducts L · nXY, bearing linear N ... XY moieties (L = 3; X = I; Y = Br, I; n = 2), and salts containing the protonated cationic donors HnLn+ (L = 1 - 3; n = 1, 2, 4), counterbalanced by Cl-, Br-, I-3(-), Br-3(-), I-5(-), Br-5(-), I2Br-, I3Br4-, or ICI2- anions, have been isolated. Among the reactions products, (H1(+))Cl-, (H1(+))Br-, (H2(+))I-3(-), (H(2)3(2+))(ICl2-)(2), and 3 · 2IBr have been characterised by single-crystal X-ray diffraction. The nature of the products has been elucidated based on elemental analysis and FT-Raman spectroscopy supported by MP2 and DFT calculations.
pyridyl donors, halides, ct-adducts, ft-raman, x-ray crystal structures, charge-transfer complexes, crystal-structures, thermal-decomposition, polyiodide networks, iodine monobromide, polybromide anions, transferadducts, ibr, tetra(2-pyridyl)pyrazine, salts
0022-328X
1923-1934
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 R.
667a68cc-7f86-47e6-a7fb-e9d3b7fdd488
Verani, Gaetano
2b49b8a9-fe0a-47aa-b29b-4978e07d5aa9
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 R.
667a68cc-7f86-47e6-a7fb-e9d3b7fdd488
Verani, Gaetano
2b49b8a9-fe0a-47aa-b29b-4978e07d5aa9

Aragoni, M. Carla, Arca, Massimiliano, Devillanova, Francesco A., Hursthouse, Michael B., Huth, Susanne L., Isaia, Francesco, Lippolis, Vito, Mancini, Annalisa, Ogilvie, Helen R. and Verani, Gaetano (2005) Reactions of pyridyl donors with halogens and interhalogens: an X-ray diffraction and FT-Raman investigation. Journal of Organometallic Chemistry, 690 (8), 1923-1934. (doi:10.1016/j.jorganchem.2004.11.001).

Record type: Article

Abstract

Three different N-donors L, namely N-ethyl-N'-3-pyridyl-imidazolidine-4,5-dione-2-thione (1), N,N'-bis(3-pyridylmethyl)-imidazolidine-4,5-dione-2-thione (2), and tetra-2-pyridyl-pyrazine (3), bearing one, two and four pyridyl substituents, respectively, have been reacted with halogens X-2 (X = Br, I) or interhalogens XY (X = I; Y = Cl, Br). CT sigma-adducts L · nXY, bearing linear N ... XY moieties (L = 3; X = I; Y = Br, I; n = 2), and salts containing the protonated cationic donors HnLn+ (L = 1 - 3; n = 1, 2, 4), counterbalanced by Cl-, Br-, I-3(-), Br-3(-), I-5(-), Br-5(-), I2Br-, I3Br4-, or ICI2- anions, have been isolated. Among the reactions products, (H1(+))Cl-, (H1(+))Br-, (H2(+))I-3(-), (H(2)3(2+))(ICl2-)(2), and 3 · 2IBr have been characterised by single-crystal X-ray diffraction. The nature of the products has been elucidated based on elemental analysis and FT-Raman spectroscopy supported by MP2 and DFT calculations.

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More information

Published date: 15 April 2005
Keywords: pyridyl donors, halides, ct-adducts, ft-raman, x-ray crystal structures, charge-transfer complexes, crystal-structures, thermal-decomposition, polyiodide networks, iodine monobromide, polybromide anions, transferadducts, ibr, tetra(2-pyridyl)pyrazine, salts

Identifiers

Local EPrints ID: 20703
URI: https://eprints.soton.ac.uk/id/eprint/20703
ISSN: 0022-328X
PURE UUID: 5a08a943-814b-4eea-8b7c-c0875395e884

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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 R. Ogilvie
Author: Gaetano Verani

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