A1 Journal article (refereed)
Transition metal precursor impact on thiocyanate complexes crystallization : Isomorphous cobalt and nickel properties (2022)
Makhlouf, J., Valkonen, A., & Smirani, W. (2022). Transition metal precursor impact on thiocyanate complexes crystallization : Isomorphous cobalt and nickel properties. Polyhedron, 213, Article 115625. https://doi.org/10.1016/j.poly.2021.115625
JYU authors or editors
Publication details
All authors or editors: Makhlouf, Jawher; Valkonen, Arto; Smirani, Wajda
Journal or series: Polyhedron
ISSN: 0277-5387
eISSN: 1873-3719
Publication year: 2022
Volume: 213
Article number: 115625
Publisher: Elsevier
Publication country: United Kingdom
Publication language: English
DOI: https://doi.org/10.1016/j.poly.2021.115625
Publication open access: Not open
Publication channel open access:
Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/93414
Abstract
In (1) the metal cations are linked by pairs of μ-1,3-bridging thiocyanate anions into corrugated chains parallel to the b direction, whereas in (2) the [Ni(NCS)4]2− anions are arranged in pairs along the c-axis direction to form anionic layers parallel to the (a, c) plane. the crystal structure of (1) and (2) was determined from XRPD data, which shows that it is strongly related to the DRX mono-crystal obtained results. Intermolecular interactions were investigated by Hirshfeld surfaces and contact enrichment tools. Different interactions packed the system through N-H…N, and N-H…S hydrogen bonds forming a ring. The organic entities are grouped into dimers for (2) through weak interactions N-H…N and N-H…S. The robustness of the crystals is also enhanced by C–H…π of the piridinium ring and N–H…S intermolecular interactions. HOMO and LUMO energy gaps have been computed, where Gap energies revealed a semiconductor behavior. The vibrational absorption bands were identified by infrared spectroscopy. The solid-state UV-Visible absorption spectrum and the photoluminescence spectrum of the title compounds were obtained at room temperature in order to spotlight the optical properties. The di-electrical investigations on (1) and (2) shows an interesting electrical behavior. In the [20–400 °C] range, the thermal behaviors were investigated and showed the decomposition of the two complexes with metal complexes residues.
Keywords: coordination complexes; cobalt; nickel; crystals; optical properties; electric properties
Free keywords: thiocyanate precursor; metal complexes; isomorphous; crystal structures; physico-chemical study; electrical investigation
Contributing organizations
Ministry reporting: Yes
Reporting Year: 2022
JUFO rating: 1