Фiзична природа водневого зв’язку
The physical nature and the correct definition of hydrogen bond (H-bond) are considered. The influence of H-bonds on the thermodynamic, kinetic, and spectroscopic properties of water is analyzed. The conventional model of H-bonds as sharply directed and saturated bridges between water molecules is i...
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| Date: | 2019 |
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| Language: | English Ukrainian |
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Publishing house "Academperiodika"
2019
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| Online Access: | https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2019187 |
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| Journal Title: | Ukrainian Journal of Physics |
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ujp2-article-20191872019-04-14T20:46:40Z Physical Nature of Hydrogen Bond Фiзична природа водневого зв’язку Zhyganiuk, I. V. Malomuzh, M. P. водневi валентнi коливання молекули води зсув частоти H-зв’язки електростатична природа hydrogen valence vibrations of a water molecule frequency shift hydrogen bond electrostatic origin - The physical nature and the correct definition of hydrogen bond (H-bond) are considered. The influence of H-bonds on the thermodynamic, kinetic, and spectroscopic properties of water is analyzed. The conventional model of H-bonds as sharply directed and saturated bridges between water molecules is incompatible with the behavior of the specific volume, evaporation heat, and self-diffusion and kinematic shear viscosity coefficients of water. On the other hand, it is shown that the variation of the dipole moment of a water molecule and the frequency shift of valence vibrations of a hydroxyl group can be totally explained in the framework of the electrostatic model of H-bond. At the same time, the temperature dependences of the heat capacity of water in the liquid and vapor states clearly testify to the existence of weak H-bonds. The analysis of a water dimer shows that the contribution of weak H-bonds to its ground state energy is approximately 4–5 times lower in comparison with the energy of electrostatic interaction between water molecules. A conclusion is made that H-bonds have the same nature in all other cases where they occur. У роботi дослiджується фiзична природа та коректнiсть означення водневих зв’язкiв. Аналiзується, перш за все, вплив останнiх на поведiнку термодинамiчних, кiнетичних та спектроскопiчних властивостей води. Показано, що сприйняття водневих зв’язкiв як гостронаправлених та насичених мiсткiв, якi виникають мiж молекулами води, є несумiсним з поведiнкою специфiчного об’єму та теплоти випаровування, а також коефiцiєнтiв самодифузiї та кiнематичної зсувної в’язкостi. На додаток до цього показано, що змiна дипольного моменту молекул води, а також зсув частоти валентних коливань гiдроксильної групи повнiстю пояснюються на основi уявлень про електростатичну природу водневого зв’язку. Разом з тим, температурнi залежностi теплоємностi води та її пари чiтко вказують на iснування слабких водневих зв’язкiв. Аналiзуючи властивостi димеру води, показано, що внесок слабких водневих зв’язкiв у енергiю основного стану димеру є приблизно в 4–5 разiв меншим у порiвняннi з енергiєю електростатичної взаємодiї мiж молекулами води. Пiдсумовуючи результати, робиться висновок, що таку саму природу мають водневi зв’язки в усiх iнших випадках, де вони виникають. Publishing house "Academperiodika" 2019-01-15 Article Article Peer-reviewed application/pdf application/pdf https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2019187 10.15407/ujpe60.09.0960 Ukrainian Journal of Physics; Vol. 60 No. 9 (2015); 960 Український фізичний журнал; Том 60 № 9 (2015); 960 2071-0194 2071-0186 10.15407/ujpe60.09 en uk https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2019187/1146 https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2019187/1147 Copyright (c) 2019 Bogolyubov Institute for Theoretical Physics, National Academy of Sciences of Ukraine |
| institution |
Ukrainian Journal of Physics |
| baseUrl_str |
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| datestamp_date |
2019-04-14T20:46:40Z |
| collection |
OJS |
| language |
English Ukrainian |
| topic |
водневi валентнi коливання молекули води зсув частоти H-зв’язки електростатична природа |
| spellingShingle |
водневi валентнi коливання молекули води зсув частоти H-зв’язки електростатична природа Zhyganiuk, I. V. Malomuzh, M. P. Фiзична природа водневого зв’язку |
| topic_facet |
водневi валентнi коливання молекули води зсув частоти H-зв’язки електростатична природа hydrogen valence vibrations of a water molecule frequency shift hydrogen bond electrostatic origin - |
| format |
Article |
| author |
Zhyganiuk, I. V. Malomuzh, M. P. |
| author_facet |
Zhyganiuk, I. V. Malomuzh, M. P. |
| author_sort |
Zhyganiuk, I. V. |
| title |
Фiзична природа водневого зв’язку |
| title_short |
Фiзична природа водневого зв’язку |
| title_full |
Фiзична природа водневого зв’язку |
| title_fullStr |
Фiзична природа водневого зв’язку |
| title_full_unstemmed |
Фiзична природа водневого зв’язку |
| title_sort |
фiзична природа водневого зв’язку |
| title_alt |
Physical Nature of Hydrogen Bond |
| description |
The physical nature and the correct definition of hydrogen bond (H-bond) are considered. The influence of H-bonds on the thermodynamic, kinetic, and spectroscopic properties of water is analyzed. The conventional model of H-bonds as sharply directed and saturated bridges between water molecules is incompatible with the behavior of the specific volume, evaporation heat, and self-diffusion and kinematic shear viscosity coefficients of water. On the other hand, it is shown that the variation of the dipole moment of a water molecule and the frequency shift of valence vibrations of a hydroxyl group can be totally explained in the framework of the electrostatic model of H-bond. At the same time, the temperature dependences of the heat capacity of water in the liquid and vapor states clearly testify to the existence of weak H-bonds. The analysis of a water dimer shows that the contribution of weak H-bonds to its ground state energy is approximately 4–5 times lower in comparison with the energy of electrostatic interaction between water molecules. A conclusion is made that H-bonds have the same nature in all other cases where they occur. |
| publisher |
Publishing house "Academperiodika" |
| publishDate |
2019 |
| url |
https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2019187 |
| work_keys_str_mv |
AT zhyganiukiv physicalnatureofhydrogenbond AT malomuzhmp physicalnatureofhydrogenbond AT zhyganiukiv fizičnaprirodavodnevogozvâzku AT malomuzhmp fizičnaprirodavodnevogozvâzku |
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2025-10-02T01:16:04Z |
| last_indexed |
2025-10-02T01:16:04Z |
| _version_ |
1851765185229881344 |