A1 Journal article (refereed)
Growth, single crystal investigation and physico-chemical properties of thiocyanate coordination compounds based on 1,4-dimethylpiperazine (2022)

Makhlouf, J., Valkonen, A., & Smirani, W. S. (2022). Growth, single crystal investigation and physico-chemical properties of thiocyanate coordination compounds based on 1,4-dimethylpiperazine. Journal of coordination chemistry, 75(9-10), 1374-1395. https://doi.org/10.1080/00958972.2022.2102905

JYU authors or editors

Publication details

All authors or editors: Makhlouf, Jawher; Valkonen, Arto; Smirani, Wajda Sta

Journal or series: Journal of coordination chemistry

ISSN: 0095-8972

eISSN: 1029-0389

Publication year: 2022

Publication date: 26/07/2022

Volume: 75

Issue number: 9-10

Pages range: 1374-1395

Publisher: Informa UK Limited

Publication country: United Kingdom

Publication language: English

DOI: https://doi.org/10.1080/00958972.2022.2102905

Research data link: https://dx.doi.org/10.5517/ccdc.csd.cc275tpy

Publication open access: Not open

Publication channel open access: 

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/93409

Additional information: CCDC deposition numbers 2061180, 2081695, 2081696 and 2061182, respectively, for 1, 2, 3 and 4 contain the supplementary crystallographic data. This data can be obtained free of charge via http://www.ccdc.cam.ac.uk/conts/retrieving.html.

Abstract

Four new hybrid organic-inorganic compounds based on 1,4-cimethylpiperazinium, [C6H16N2M(SCN)4]·2H2O (M = Co(1), Ni(2)), [(C6H16N2)Cd(SCN)4] (3), and [C6H16N2(SCN)2] (4), were prepared by the evaporation crystal growth method at room temperature. These complexes were characterized by their X-ray crystal structure; spectroscopic methods such as FTIR analysis supported the presence of surface ligand groups of thiocyanates and identified the vibrational absorption bands. The piperazinium ring adopts a slightly distorted chair conformation which is more stable because it does not have any steric hindrance or steric repulsion between the hydrogen bonds and which favors the entities coordination. Intermolecular interactions were investigated by Hirshfeld surfaces and contact enrichment tools. In the crystals, extensive intermolecular interactions have been used in the self-assembly of motifs, including strong H-bonds. The components are linked mainly by N-H…S, O-H…S, and N-H…N hydrogen-bonding interactions, resulting in a three-dimensional network. The arrangements of the anions and cations in the solids are governed not only by the size and symmetry of the cations, but also by the non-covalent bonds in the crystal structures.

Keywords: inorganic chemistry; molecules; crystallisation (passive); x-ray crystallography; heterocyclic compounds; aromatic compounds; alkalies; antioxidants; spectroscopy; metals; materials research

Free keywords: inorganic chemistry; materials chemistry; DRX; crystal structure; heterocyclic aromatic bases; anti-oxidant behavior

Contributing organizations

Ministry reporting: Yes

Reporting Year: 2022

JUFO rating: 1