Hydrogen Bonds in a Water–Pyrrolidone System

Structural properties of a mixture of water–2-pyrrolidone are studied using a set of physicochemical means. Spectral and numerical means are used to determine the parameters of hydrogen-bonded structures, and to calculate the structural and energy characteristics that describe the topology of hydrog...

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Veröffentlicht in:	Russian Journal of Physical Chemistry A 2022-04, Vol.96 (4), p.685-690
Hauptverfasser:	Makarov, D. M., Dyshin, A. A., Krestyaninov, M. A., Ivlev, D. V., Kolker, A. M.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Chemistry and Materials Science Hydrogen bonding Hydrogen bonds Mixtures ON THE 90th ANNIVERSARY OF THE BIRTH OF G.A. KRESTOV Physical Chemistry Topology
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Beschreibung
Zusammenfassung:	Structural properties of a mixture of water–2-pyrrolidone are studied using a set of physicochemical means. Spectral and numerical means are used to determine the parameters of hydrogen-bonded structures, and to calculate the structural and energy characteristics that describe the topology of hydrogen bonds under conditions of a change in the composition of the mixture. The most probable structure of the resulting hydrogen-bonded complexes has been determined.
ISSN:	0036-0244 1531-863X
DOI:	10.1134/S0036024422040215