Charge transfer and hydrogen bond energy in glycinium salts View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2009-01

AUTHORS

K. A. Lyssenko, P. Yu. Barzilovich, Yu. V. Nelyubina, E. A. Astaf’ev, M. Yu. Antipin, S. M. Aldoshin

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). More... »

PAGES

31-40

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s11172-009-0005-7

DOI

http://dx.doi.org/10.1007/s11172-009-0005-7

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1012053494


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