Prediction of reduction potentials from calculated electron affinities for metal-salen compounds

The electron affinities (EAs) of a training set of 19 metal-salen compounds were calculated using density functional theory. Concurrently, the experimental reduction potentials for the training set were measured using cyclic voltammetry. The EAs and reduction potentials were found to be linearly cor...

Descripción completa

Detalles Bibliográficos
Autores principales: Bateni, Sarah B, England, Kellie R, Galatti, Anthony T, Kaur, Handeep, Mendiola, Victor A, Mitchell, Alexander R, Vu, Michael H, Gherman, Benjamin F, Miranda, James A
Formato: Texto
Lenguaje:English
Publicado: Beilstein-Institut 2009
Materias:
Preliminary Communication
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2839914/
https://www.ncbi.nlm.nih.gov/pubmed/20300473
http://dx.doi.org/10.3762/bjoc.5.82

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2839914/
https://www.ncbi.nlm.nih.gov/pubmed/20300473
http://dx.doi.org/10.3762/bjoc.5.82

Ejemplares similares