Prediction of reduction potentials from calculated electron affinities for metal-salen compounds
نویسندگان
چکیده
منابع مشابه
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 correlated by metal. The reduction potentials of a test set of 14 different metal-salens were then m...
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ژورنال
عنوان ژورنال: Beilstein Journal of Organic Chemistry
سال: 2009
ISSN: 1860-5397
DOI: 10.3762/bjoc.5.82