Cu(β-diketonato)2 bathochromic shifts from the ultraviolet towards the visible region
TDDFT of 11 different Cu(β-diketonato)<sub>2</sub> complexes follow the experimental trend. Aromatic rings on the ligand lead to Bathochromic shifts of UV/Visible spectra. No aromatic rings on the ligand lead to ligand-to-metal charge transfer excitations. Aromatic rings on the ligand lead to ligand-to-ligand charge transfer excitations.
Authors
- Marrigje M. Conradie
Institutions
- University of the Free State (ZA)
Publication Details
- Journal
- Journal of Molecular Modeling
- Published
- 2024-09-17
- DOI
- https://doi.org/10.1007/s00894-024-06138-1
- Citations
- 4
- Primary Topic
- Free Radicals and Antioxidants
- Type
- article
- Field-Weighted Citation Impact
- 1.00
Funders
- National Research Foundation
- Universiteit van die Vrystaat