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Acid properties of porphyrins and related systems

AuthorsAlkorta, Ibon ; Blanco, Fernando; Elguero, José
Issue Date2008
PublisherMAIK Nauka/Interperiodica Publishing
CitationRussian Journal of General Chemistry 78: 784- 792 (2008)
AbstractStructural, energetic, and electronic aspects of a series of porphyrins and related compounds in their neutral, anion, and dianion electronic states have been studied by means of DFT calculations [B3LYP/6-31+G(d,p)]. Analysis of the electron density puts forward a number of different kinds of interactions between the inner atoms. Intramolecular correlations similar to those found in intermolecular N-H•••N interactions have been found. © 2008 MAIK Nauka.
Publisher version (URL)http://dx.doi.org/10.1134/S1070363208040385
Identifiersdoi: 10.1134/S1070363208040385
issn: 1070-3632
e-issn: 1608-3350
Appears in Collections:(IQM) Artículos
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