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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.

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Authors and Affiliations

  1. Instituto de Química Médica, CSIC, Juan de la Cierva, 3, E-28006, Madrid, Spain

    I. Alkorta, F. Blanco & J. Elguero

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  1. I. Alkorta
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  2. F. Blanco
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  3. J. Elguero
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Correspondence to I. Alkorta.

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Published in Russian in Rossiiskii Khimicheskii Zhurnal, 2007, Vol. 51, No. 5, pp. 99–106.

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Alkorta, I., Blanco, F. & Elguero, J. Acid properties of porphyrins and related systems. Russ J Gen Chem 78, 784–792 (2008). https://doi.org/10.1134/S1070363208040385

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