Details

Autor(en) / Beteiligte

• Ondrušová, Soňa
• Hynek, Jan
• Demel, Jan
• Lang, Kamil
• Kloda, Matouš

Titel

Tuning the bandgap of Cu(II) phosphinate coordination polymers by ligand selection and coordination geometry

Ist Teil von

• Journal of solid state chemistry, 2024-09, Vol.337, p.124806, Article 124806

Ort / Verlag

Elsevier Inc

Erscheinungsjahr

2024

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• Five coordination polymers, denoted as ICR-15, ICR-16, ICR-17, ICR-18, and ICR-19, were prepared using three previously reported phosphinic acids, namely H2PBP(Me), H2PBP(Ph), H2BBP(Ph), and one new ligand H3TPBTP(Me), in conjunction with Cu2+ cations. These coordination polymers were characterized with single crystal X-ray diffraction, Fourier transform infrared (FTIR) spectroscopy, thermal analysis, and UV–vis spectroscopy. The crystal structures of the coordination polymers were analysed, revealing a variety of coordination environments and distinct structural motifs. Optical band gaps determined from the UV–vis spectra of the coordination polymers range from 2.8 eV to 3.5 eV, corresponding to wide bandgap semiconductors. Interestingly, the coordination geometry of Cu2+ was found to have a negligible influence on the size of the direct or indirect band gap. Five new coordination polymers prepared using Cu2+ and phosphinate ligands with varying length and geometry. They were then evaluated for their optical band gaps. [Display omitted] •Five new Cu-phosphinate coordination polymers were prepared.•Different ligand and coordination geometries were tested.•Optical bandgaps were determined to be in the range of wide bandgap semiconductors.•Band gaps are mainly influenced by the ligand rather than coordination geometry.