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Charge transfer and hydrogen bond energy in glycinium salts

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Abstract

On the basis of precision X-ray diffraction studies of glycinium trifluoroacetate, glycinium monohydrate with l, 5-naphthalenedisulfonic acid, and the 6h-polymorph of glycine, topological analysis of the electron density distribution function in the crystal was carried out. The sublimation energy of glycine topological analysis of the electron density distribution function in the crystal was carried out. The sublimation energy of glycine was estimated and the role of hydrogen bonds in the charge transfer from the anion to the cation was studied. The role of cation—cation and anion—anion contacts in crystal stabilization was considered. Features of the specific interactions C...C, F...O, and F...N and sulfonic acid SO3 - group were analyzed on the basis of the deformation electron density function and the electron localization function (ELF).

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Authors and Affiliations

  1. A. N. Nesmeyanov Institute of Organoement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 119991, Moscow, Russian Federation

    K. A. Lyssenko, Yu. V. Nelyubina & M. Yu. Antipin

  2. Institute of Problems of Chemical Physics, Russian Academy of Sciences, 1 prosp. Akad. Semenova, 142432, Chernogolovka, Moscow Region, Russian Federation

    P. Yu. Barzilovich, E. A. Astaf’ev & S. M. Aldoshin

Authors
  1. K. A. Lyssenko
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  2. P. Yu. Barzilovich
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  3. Yu. V. Nelyubina
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  4. E. A. Astaf’ev
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  5. M. Yu. Antipin
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  6. S. M. Aldoshin
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Correspondence to K. A. Lyssenko.

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Dedicated to Academician A. I. Konovalov on his 75th birthday.

Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 31—40, January, 2009.

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Lyssenko, K.A., Barzilovich, P.Y., Nelyubina, Y.V. et al. Charge transfer and hydrogen bond energy in glycinium salts. Russ Chem Bull 58, 31–40 (2009). https://doi.org/10.1007/s11172-009-0005-7

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  • DOI: https://doi.org/10.1007/s11172-009-0005-7

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