DFT Study of the CNS Ligand Effect on the Geometry, Spin-State, and Absorption Spectrum in Ruthenium, Iron, and Cobalt Quaterpyridine Complexes

[Image: see text] Geometry parameters, total energy of the system in different spin states, harmonic vibrational frequencies, and absorption spectra were computed for a range of mononuclear quaterpyridine Ru(II), Fe(III/II), and Co(III/II) complexes with two axial ambidentate CNS ligands by using de...

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Detalles Bibliográficos
Autores principales: Tsaturyan, Arshak A., Budnyk, Andriy P., Ramalingan, Chennan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6647971/
https://www.ncbi.nlm.nih.gov/pubmed/31460197
http://dx.doi.org/10.1021/acsomega.9b00921

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6647971/
https://www.ncbi.nlm.nih.gov/pubmed/31460197
http://dx.doi.org/10.1021/acsomega.9b00921

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