A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Elaboration of a new 4-(4-nitrophenyl)piperazin-1-ium tetrakis(thiocyanato)-cobalt hydrate : Crystal structure, optical properties, quantum computational investigation, electrical and biological study (2024)
Abidi, K., Ahsin, A., Makhlouf, J., El Bakri, Y., Abuelizz, H. A., Al-Salahi, R., Valkonen, A., & Smirani, S. W. (2024). Elaboration of a new 4-(4-nitrophenyl)piperazin-1-ium tetrakis(thiocyanato)-cobalt hydrate : Crystal structure, optical properties, quantum computational investigation, electrical and biological study. Inorganica Chimica Acta, Early online, Article 122438. https://doi.org/10.1016/j.ica.2024.122438
JYU-tekijät tai -toimittajat
Julkaisun tiedot
Julkaisun kaikki tekijät tai toimittajat: Abidi, Khaoula; Ahsin, Atazaz; Makhlouf, Jawher; El Bakri, Youness; Abuelizz, Hatem A.; Al-Salahi, Rashad; Valkonen, Arto; Smirani, Sta Wajda
Lehti tai sarja: Inorganica Chimica Acta
ISSN: 0020-1693
eISSN: 1873-3255
Julkaisuvuosi: 2024
Ilmestymispäivä: 07.11.2024
Volyymi: Early online
Artikkelinumero: 122438
Kustantaja: Elsevier
Julkaisumaa: Italia
Julkaisun kieli: englanti
DOI: https://doi.org/10.1016/j.ica.2024.122438
Julkaisun avoin saatavuus: Ei avoin
Julkaisukanavan avoin saatavuus:
Tiivistelmä
The preparation, spectroscopic, biological, and electrical characterization, in addition to the X-ray crystal structure investigation of a novel three-dimensional compound (C10H14N3O2)2 [Co(NCS)4].H2O ((NPP)2[Co(NCS)4].H2O) is reported. The synthesized compound crystallizes in the Pna21 space group. The structure comprises layers of cobalt (II) bridged by terminally bound thiocyanate-N ligand achieving distorted MN4 tetrahedron surroundings around the metal center. The vibrational modes of the functional groups were investigated using FT-IR measurements. Hirshfeld surface (HS) analysis and electronic structures calculations reveal the excellent reactivity and intermolecular interactions in stabilizing complex. The change transfer and NLO parameters were also computed using the DFT method. The study of the optical behavior reveals a high optical property. Explorations of impedance spectroscopy on (NPP)2[Co(NCS)4].H2O reveals fascinating electrical behavior which reveals that the Co complex component can be used as an electronic chip under certain conditions. The thermal analysis was used to confirm the crystal’s thermal stability. The compound’s antimicrobial activity suggested that the Cobalt complex acts as an inhibitor Agent against different types of bacteria.
YSO-asiasanat: kemiallinen synteesi; materiaalitutkimus; antimikrobiset yhdisteet; röntgenkristallografia; tiheysfunktionaaliteoria
Vapaat asiasanat: materials chemistry; X-ray structure; DFT; impedance spectroscopy; antimicrobial activity
Liittyvät organisaatiot
OKM-raportointi: Kyllä
Alustava JUFO-taso: 1
