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

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...

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Bibliographic Details
Main Authors: Sarah B. Bateni, Kellie R. England, Anthony T. Galatti, Handeep Kaur, Victor A. Mendiola, Alexander R. Mitchell, Michael H. Vu, Benjamin F. Gherman, James A. Miranda
Format: Article
Language:English
Published: Beilstein-Institut 2009-12-01
Series:Beilstein Journal of Organic Chemistry
Subjects:
density functional theory
electron affinity
metal-salen
reduction potential
Online Access:https://doi.org/10.3762/bjoc.5.82

Internet

https://doi.org/10.3762/bjoc.5.82

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