Erhältlich:
Nicht auf Lager
Buch (Softcover): Fachbuch
Elucidating the Properties of a Novel [Ni(SCN)4] Complex
A Combined Experimental and Theoretical Approach
Verlag:
Eliva Press Unsere-Artikel-Nr.: P35487174
EAN: 9789999343404
Erhältlich:
Nicht auf Lager
Zustellung: Mi, 14.10.2026
Versand: Kostenlos
CHF 79.–
Beschreibung
The newly synthesized crystalline compound, (C6H8N2)2Ni(SCN)4. 2(C6H9N2), features a trans-NiN₆ octahedral geometry where the Ni2 center is coordinated by four thiocyanate ligands and two 2-amino-4-methylpyridine molecules. These discrete complexes assemble into linear chains along the crystallographic c-axis, stabilized into a 3D supramolecular framework by an intricate network of N-H. N and N-H. S hydrogen bonds. Characterized by XRD, FT-IR, and Hirshfeld surface analysis, the material functions as a semiconductor with a narrow 1. 2 eV energy gap, a property resulting from intramolecular charge transfers and pi-orbital stacking that facilitates efficient charge carrier hopping. Although the framework remains thermally stable until degradation begins at 550 K, it exhibits a distinct phase transition at 435 K. Beyond its physical properties, molecular docking studies indicate that the compound possesses potential biological relevance, demonstrating a moderate binding affinity for the antioxidant-related protein peroxiredoxin 5.
Spezifikationen
Sprache
- Englisch
Autor
- Jawher Makhlouf
Erscheinungsjahr
- 2026
Format
- Buch (Softcover)
Anzahl Seiten
- 58