Sciact
  • EN
  • RU

Hydrogen Bonding Between Ions of Like Charge in Ionic Liquids Characterized by NMR Deuteron Quadrupole Coupling Constants—Comparison with Salt Bridges and Molecular Systems Научная публикация

Журнал Angewandte Chemie (German edition)
ISSN: 0044-8249 , E-ISSN: 1521-3757
Вых. Данные Год: 2019, Том: 131, Номер: 49, Страницы: 18027-18035 Страниц : 9 DOI: 10.1002/ange.201912476
Авторы Khudozhitkov Alexander E. 1,5 , Neumann Jan 2 , Niemann Thomas 2 , Zaitsau Dzmitry 3 , Stange Peter 2 , Paschek Dietmar 2 , Stepanov Alexander G. 1,5 , Kolokolov Daniil I. 1,5 , Ludwig Ralf 2,3,4
Организации
1 Siberian Branch of Russian Academy of Sciences, Prospekt Akademika Lavrentieva 5, Novosibirsk 630090 (Russia)
2 Universitat Rostock, Institut fur Chemie, Abteilung fur Physikalische Chemie, Dr.-Lorenz-Weg 2, 18059 Rostock (Germany)
3 Department LL&M, University of Rostock, Albert-Einstein-Str. 25, 18059 Rostock (Germany)
4 Leibniz-Institut ffr Katalyse an der Universit-t Rostock e.V. Albert-Einstein-Str. 29a, 18059 Rostock (Germany)
5 Novosibirsk State University, Pirogova Street 2, Novosibirsk 630090 (Russia)

Реферат: We present deuteron quadrupole coupling constants (DQCC) for hydroxyl-functionalized ionic liquids (ILs) in the crystalline or glassy states characterizing two types of hydrogen bonding: The regular Coulomb-enhanced hydrogen bonds between cation and anion (c–a), and the unusual hydrogen bonds between cation and cation (c–c), which are present despite repulsive Coulomb forces. We measure these sensitive probes of hydrogen bonding by means of solid-state NMR spectroscopy. The DQCCs of (c–a) ion pairs and (c–c) H-bonds are compared to those of salt bridges in supramolecular complexes and those present in molecular liquids. At low temperatures, the (c–c) species successfully compete with the (c–a) ion pairs and dominate the cluster populations. Equilibrium constants obtained from molecular-dynamics (MD) simulations show van't Hoff behavior with small transition enthalpies between the differently H-bonded species. We show that cationic-cluster formation prevents these ILs from crystallizing. With cooling, the (c–c) hydrogen bonds persist, resulting in supercooling and glass formation.
Библиографическая ссылка: Khudozhitkov A.E. , Neumann J. , Niemann T. , Zaitsau D. , Stange P. , Paschek D. , Stepanov A.G. , Kolokolov D.I. , Ludwig R.
Hydrogen Bonding Between Ions of Like Charge in Ionic Liquids Characterized by NMR Deuteron Quadrupole Coupling Constants—Comparison with Salt Bridges and Molecular Systems
Angewandte Chemie (German edition). 2019. V.131. N49. P.18027-18035. DOI: 10.1002/ange.201912476 РИНЦ OpenAlex
Оригинальная: Khudozhitkov A.E. , Neumann J. , Niemann T. , Zaitsau D. , Stange P. , Paschek D. , Stepanov A.G. , Kolokolov D.I. , Ludwig R.
Hydrogen Bonding Between Ions of Like Charge in Ionic Liquids Characterized by NMR Deuteron Quadrupole Coupling Constants—Comparison with Salt Bridges and Molecular Systems
Angewandte Chemie - International Edition. 2019. V.58. N49. P.17863-17871. DOI: 10.1002/anie.201912476 WOS Scopus РИНЦ CAPlusCA PMID OpenAlex
Даты:
Поступила в редакцию: 30 сент. 2019 г.
Опубликована online: 31 окт. 2019 г.
Идентификаторы БД:
РИНЦ: 48196334
OpenAlex: W4231078798
Цитирование в БД:
БД Цитирований
OpenAlex 7
Альметрики: