A1 Journal article (refereed)
Investigation on the molecular, electronic, biological and spectroscopic properties of a novel cobalt complex : An intuition from an experimental and computational perspective (2023)
Makhlouf, J., Louis, H., Benjamin, I., Isang, B. B., Fidelis, C. F., Valkonen, A., & Smirani, W. (2023). Investigation on the molecular, electronic, biological and spectroscopic properties of a novel cobalt complex : An intuition from an experimental and computational perspective. Polyhedron, 235, Article 116369. https://doi.org/10.1016/j.poly.2023.116369
JYU authors or editors
Publication details
All authors or editors: Makhlouf, Jawher; Louis, Hitler; Benjamin, Innocent; Isang, Bartholomew B.; Fidelis, Chidera F.; Valkonen, Arto; Smirani, Wajda
Journal or series: Polyhedron
ISSN: 0277-5387
eISSN: 1873-3719
Publication year: 2023
Publication date: 06/03/2023
Volume: 235
Article number: 116369
Publisher: Elsevier BV
Publication country: United Kingdom
Publication language: English
DOI: https://doi.org/10.1016/j.poly.2023.116369
Publication open access: Not open
Publication channel open access:
Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/93730
Abstract
The vibrational modes of the functional groups were investigated using FT-IR measurements. Hirshfeld surface analysis was performed to investigate the short contacts and hydrogen bonds in the compound. In addition of the study of the photoluminescent behavior which reveals a high optical property. Explorations of impedance spectroscopy on [C6H16N2 Co(NCS)4] reveal fascinating electrical behavior which reveals that the Co complex component can be used as an electronic chip and under certain conditions, this semiconductor have the ability to act either as a conductor which can be a considered as a pure element. The thermal analysis was used to confirm the crystal thermal stability. Finally, the compound’s antioxidant activity and the molecular docking were occurred which suggest that the Cobalt complex acts as a COX-2 inhibitor Agent.
Keywords: coordination complexes; cobalt; antioxidants; crystals; materials research; spectroscopy
Free keywords: materials chemistry; X-ray structure determination; DFT; impedance spectroscopy; antioxidant activity; molecular docking
Contributing organizations
Ministry reporting: Yes
Reporting Year: 2023
Preliminary JUFO rating: 1