Synthesis, X-ray crystal structure and determination of non-covalent interactions through Hirshfeld surface analysis of a pure red emitting asymmetrical octacoordinated Sm(III) complex

Ilmi R., Kansiz S., Al Rasbi N. K., Husband J., Dege N., Khan M. S.

POLYHEDRON, cilt.246, 2023 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 246
  • Basım Tarihi: 2023
  • Doi Numarası: 10.1016/j.poly.2023.116673
  • Dergi Adı: POLYHEDRON
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, Chimica
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

A new organo-samarium complex [Sm(tfac)(3)(DPEPO)] (Sm1) has been synthesized by incorporating tri-fluoroacetylacetone (tfac) as the primary antenna ligand and bis(2-(diphenylphosphino)phenyl)ether oxide (DPEPO) as the ancillary ligand. The structure of the complex was established by single crystal X-ray diffraction (SC-XRD) analysis, which shows that the coordination sphere is composed of a EuO6O2 core (octacoordinated). Continuous shape measures (CShMs) further revealed that the geometry around Sm(III) is trigonal dodecahedral with approximate D-2d-symmetry. Different non-covalent interactions (NCIs) and their % contribution to the supramolecular structure and their role in stabilizing the structure were determined by Hirshfeld surface anal-ysis. Photophysical properties of the complex were determined in the solid-state and in DCM solution. The complex emits brilliant red emission in the solid-state and in DCM solution with excited state lifetime in microsecond regime and relative quantum yield of 2.5 +/- 10 % in solution.