On similarity of hydrogen-bonded networks in liquid formamide and water as revealed in the static dielectric studies

文献情報

出版日 2012-01-11

DOI 10.1039/C2CP23960D

インパクトファクター 3.676

著者

Jan Jadżyn, Jolanta Świergiel

原文を見る

要旨

The paper presents the experimental verification of the result obtained with the molecular dynamics simulation which revealed the differences in the topology of the hydrogen-bonded networks in liquid formamide and water, namely, the differences in their intermolecular cyclization process (I. Bakó, et al. J. Chem. Phys. 2010, 132, 014506). It is shown in our paper that the difference in the (simulated) size distribution of the hydrogen-bonded molecular rings in water (a relatively sharp maximum at about 6 molecules) and formamide (a broad maximum at about 11 molecules) strongly manifests itself in the experimental values of the Kirkwood correlation factor of the compounds. A much larger number of molecules included in the cyclic species (of more or less compensated dipole moment) leads to significant decrease of the Kirkwood correlation factor of formamide in comparison to that of water. Besides, as a consequence of an enhancement in formation of the cyclic multimers of formamide, one observes an essential reduction of the orientational entropy increment of that liquid, in comparison to the entropy effect related to liquid amides where the chain multimers are formed.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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