Electrochemical studies and semiempirical calculations on pi-conjugated dienones and heterocyclic nitrogen containing donor ligand moleculesстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:Reduction potentials for the first electron transfer to a broad selection of nitrogen containing bi- and polydentate molecules considered as potential ligands have been determined. Results are compared with data obtained with semiempirical and UV-Vis spectroscopic data. Close correlations for the investigated molecules are observed. Systematic differences in properties of molecules with and without the keto moiety can be explained by invoking molecular orbital and surface interaction arguments. Similar structural arguments can be used to explain the behaviour of 2,4,6-tripyridin-2-yl[1,3,5]triazine. UV-Vis data match closely those derived from HOMO-LUMO calculations for these molecules.