Acid properties of porphyrins and related systems

descriptionPublicationkeyboard_double_arrow_right Article 01 Apr 2008 English Publisher:Pleiades Publishing LtdJournal:Russian Journal of General Chemistry, volume 78, pages 784-792 (issn: 1070-3632, eissn: 1608-3350,

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Authors: Alkorta, Ibon; Blanco, Fernando; Elguero, José;

doi: 10.1134/s1070363208040385

handle: 10261/66429

Acid properties of porphyrins and related systems

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Abstract

Structural, 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.

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Related Organizations

Spanish National Research Council
Spain
Instituto de Química Médica
Spain

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