Cargando…
Metallocene-Naphthalimide Derivatives: The Effect of Geometry, DFT Methodology, and Transition Metals on Absorption Spectra
In the present paper, the photophysical properties of metallocene-4-amino-1,8-naphthalimide-piperazine molecules (1-M(2+)), as well as their oxidized and protonated derivatives (1−M(3+), 1-M(2+)-H(+), and 1-M(3+)-H(+)), where M = Fe, Co, and Ni, were studied via DFT and TD-DFT, employing three funct...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10146125/ https://www.ncbi.nlm.nih.gov/pubmed/37110799 http://dx.doi.org/10.3390/molecules28083565 |