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Sublimation effects and volume effects in the crystals of amino acids, peptides, and their some acetyl derivatives

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Abstract

The effects of molecular shape, packing density, and electronic characteristics on the sublimation enthalpies of crystalline amino acids, dipeptides, and certain amides and their N-acetyl derivatives were studied on the basis of their experimental thermodynamic parameters (sublimation enthalpies, heat capacities) and steric structures. The sublimation enthalpy of L-α-phenylalanine was determined by Knudsen effusion mass spectrometry. A multiparameter correlation between the sublimation enthalpy and molecular descriptors of the studied compounds was proposed. The contributions of volume factors, electrostatic attraction of zwitterions, and hydrogen bonding in crystals into the sublimation enthalpy were estimated.

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Authors and Affiliations

  1. Krestov Institute of Solution Chemistry, Russian Academy of Sciences, ul. Akademicheskaya 1, Ivanovo, 153045, Russia

    E. Yu. Tyunina & V. G. Badelin

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  1. E. Yu. Tyunina
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  2. V. G. Badelin
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Correspondence to E. Yu. Tyunina.

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Original Russian Text © E.Yu. Tyunina, V.G. Badelin, 2013, published in Zhurnal Obshchei Khimii, 2013, Vol. 83, No. 4, pp. 624–633.

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Tyunina, E.Y., Badelin, V.G. Sublimation effects and volume effects in the crystals of amino acids, peptides, and their some acetyl derivatives. Russ J Gen Chem 83, 708–716 (2013). https://doi.org/10.1134/S1070363213040178

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  • DOI: https://doi.org/10.1134/S1070363213040178

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