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Chemical and structural data of (1,2,3-triazol-4-yl)pyridine-containing coordination compounds

Chemical and structural data of (1,2,3-triazol-4-yl)pyridine-containing coordination compounds
Chemical and structural data of (1,2,3-triazol-4-yl)pyridine-containing coordination compounds

The data presented in this paper are related to the research article entitled “Novel dichloro(bis{2-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl-κN3]pyridine-κN})metal(II) coordination compounds of seven transition metals (Mn, Fe, Co, Ni, Cu, Zn and Cd)” (Conradie et al., 2018) [1]. This paper presents characterization and structural data of the 2-(1-(4-methyl-phenyl)-1H-1,2,3-triazol-1-yl)pyridine ligand (L2) (Tawfiq et al., 2014) [2] as well as seven dichloro(bis{2-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl-κN3]pyridine-κN})metal(II) coordination compounds, [M(L2)2Cl2], all containing the same ligand but coordinated to different metal ions. The data illustrate the shift in IR, UV/VIS, and NMR (for diamagnetic complexes) peaks when L is coordinated to the metals, as well as the influence of the different metals on the peak positions. Solid state structural data is presented for M = Ni and Zn, while density functional theory calculated energies, structures and optimized coordinates are provided for the lowest energy cis and trans conformations for L2 as well as [M(L2)2Cl2] with M = Mn, Fe, Co, Ni, Cu, Zn and Cd.

2352-3409
1397-1408
Conradie, J.
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Conradie, M. M.
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Tawfiq, K. M.
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Al-Jeboori, M. J.
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D'Silva, C.
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Coles, S. J.
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Wilson, C.
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Potgieter, J. H.
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Conradie, J.
814b9b0c-ae44-4f35-b80b-4d27bd575030
Conradie, M. M.
b092ff5b-65d6-4bc6-93f7-2819a613ffaa
Tawfiq, K. M.
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Al-Jeboori, M. J.
180ff82a-635c-452f-925d-c2034b42765b
D'Silva, C.
cc2950c2-92fd-44c4-aac5-c0c2fe58c477
Coles, S. J.
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Wilson, C.
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Potgieter, J. H.
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Conradie, J., Conradie, M. M., Tawfiq, K. M., Al-Jeboori, M. J., D'Silva, C., Coles, S. J., Wilson, C. and Potgieter, J. H. (2018) Chemical and structural data of (1,2,3-triazol-4-yl)pyridine-containing coordination compounds. Data in Brief, 20, 1397-1408. (doi:10.1016/j.dib.2018.08.125).

Record type: Article

Abstract

The data presented in this paper are related to the research article entitled “Novel dichloro(bis{2-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl-κN3]pyridine-κN})metal(II) coordination compounds of seven transition metals (Mn, Fe, Co, Ni, Cu, Zn and Cd)” (Conradie et al., 2018) [1]. This paper presents characterization and structural data of the 2-(1-(4-methyl-phenyl)-1H-1,2,3-triazol-1-yl)pyridine ligand (L2) (Tawfiq et al., 2014) [2] as well as seven dichloro(bis{2-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl-κN3]pyridine-κN})metal(II) coordination compounds, [M(L2)2Cl2], all containing the same ligand but coordinated to different metal ions. The data illustrate the shift in IR, UV/VIS, and NMR (for diamagnetic complexes) peaks when L is coordinated to the metals, as well as the influence of the different metals on the peak positions. Solid state structural data is presented for M = Ni and Zn, while density functional theory calculated energies, structures and optimized coordinates are provided for the lowest energy cis and trans conformations for L2 as well as [M(L2)2Cl2] with M = Mn, Fe, Co, Ni, Cu, Zn and Cd.

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Accepted/In Press date: 24 August 2018
e-pub ahead of print date: 30 August 2018
Published date: 1 October 2018

Identifiers

Local EPrints ID: 425173
URI: http://eprints.soton.ac.uk/id/eprint/425173
ISSN: 2352-3409
PURE UUID: fdb4b500-293b-4525-8222-261d0dc78c13
ORCID for S. J. Coles: ORCID iD orcid.org/0000-0001-8414-9272

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Date deposited: 11 Oct 2018 16:30
Last modified: 22 Nov 2021 02:44

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Contributors

Author: J. Conradie
Author: M. M. Conradie
Author: K. M. Tawfiq
Author: M. J. Al-Jeboori
Author: C. D'Silva
Author: S. J. Coles ORCID iD
Author: C. Wilson
Author: J. H. Potgieter

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