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

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, pp. 1397-1408. (doi: 10.1016/j.dib.2018.08.125) (PMID:30255118) (PMCID:PMC6148730)

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.

• Item Type: Articles
• Additional Information: KT expresses his gratitude to the Iraqi Government for financial support to conduct the research reported in the UK. This work has received support from the South African National Research Foundation (Grant numbers 113327 and 96111) and the Central Research Fund of the University of the Free State, Bloemfontein, South Africa.
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Wilson, Dr Claire
• Authors: Conradie, J., Conradie, M.M., Tawfiq, K.M., Al-Jeboori, M.J., D'Silva, C., Coles, S.J., Wilson, C., and Potgieter, J.H.
• College/School: College of Science and Engineering > School of Chemistry
• Journal Name: Data In Brief
• Publisher: Elsevier
• ISSN: 2352-3409
• ISSN (Online): 2352-3409
• Published Online: 30 August 2018
• Copyright Holders: Copyright © 2018 The Authors
• First Published: First published in Data in Brief 20: 1397-1408
• Publisher Policy: Reproduced under a Creative Commons License