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Simultaneous Determination of Deuteron Quadrupole Coupling Constants and Rotational Correlation Times: The Model Case of Hydrogen Bonded Ionic Liquids Научная публикация

Журнал PCCP: Physical Chemistry Chemical Physics
ISSN: 1463-9076 , E-ISSN: 1463-9084
Вых. Данные Год: 2019, Том: 21, Номер: 46, Страницы: 25597-25605 Страниц : 9 DOI: 10.1039/c9cp04983e
Ключевые слова TEMPERATURE-DEPENDENCE; NMR RELAXATION; MOLECULAR-REORIENTATION; WATER; PROTON; DYNAMICS; MOTION; RESONANCE; MIXTURES; MACROMOLECULES
Авторы Khudozhitkov A.E. 1,2 , Overbeck V. 3,4 , Stange P. 3 , Strate A. 3,4 , Zaitsau D. 3,4 , Appelhagen A. 3 , Michalik D. 5 , Stepanov A.G. 1,2 , Kolokolov D.I. 1,2 , Paschek D. 3 , Ludwig R. 3,4,5
Организации
1 Boreskov Institute of Catalysis, Siberian Branch of Russian Academy of Sciences, Prospekt Akademika Lavrentieva 5, Novosibirsk, 630090, Russia
2 Novosibirsk State University, Pirogova Street 2, Novosibirsk, 630090, Russia
3 Universität Rostock, Institut für Chemie, Abteilung für Physikalische Chemie, Dr.-Lorenz-Weg 2, Rostock, 18059, Germany
4 Department LLandM, University of Rostock, Albert-Einstein-Str. 25, Rostock, 18059, Germany
5 Leibniz-Institut für Katalyse An der Universität Rostock E.V., Albert-Einstein-Str. 29a, Rostock, 18059, Germany

Информация о финансировании (3)

1 Федеральное агентство научных организаций России 0303-2016-0003
2 German Research Foundation LU 506/15 (401427621)
3 Rostock University

Реферат: We show that deuteron quadrupole coupling constants (DQCCs), and reorientational correlation times of molecular bonds N-D that are involved in hydrogen bonding, can be determined from NMR T1 relaxation time experiments simultaneously. For this purpose, we used trialkylammonium-based protic ionic liquids (PILs) as model compounds. They exhibit high viscosities and wide liquid ranges that allow measurements far beyond the extreme narrowing region (ω0τc ≪ 1). The T1 minima already occur at temperatures significantly above room temperature. We obtain reasonable DQCCs for the liquid phase if anisotropic motion is considered. The DQCCs are very small due to attractive Coulomb interaction between the cation and anion, which is further enhanced by hydrogen bonding. The DQCCs strongly depend on the interaction strength of the anion but are independent of the alkyl chain length of the trialkyl ammonium cations pointing to the exclusive cation-anion interaction along the hydrogen bond.
Библиографическая ссылка: Khudozhitkov A.E. , Overbeck V. , Stange P. , Strate A. , Zaitsau D. , Appelhagen A. , Michalik D. , Stepanov A.G. , Kolokolov D.I. , Paschek D. , Ludwig R.
Simultaneous Determination of Deuteron Quadrupole Coupling Constants and Rotational Correlation Times: The Model Case of Hydrogen Bonded Ionic Liquids
PCCP: Physical Chemistry Chemical Physics. 2019. V.21. N46. P.25597-25605. DOI: 10.1039/c9cp04983e WOS Scopus РИНЦ CAPlusCA PMID OpenAlex
Даты:
Поступила в редакцию: 8 сент. 2019 г.
Принята к публикации: 18 окт. 2019 г.
Опубликована online: 18 окт. 2019 г.
Опубликована в печати: 14 дек. 2019 г.
Идентификаторы БД:
Web of science: WOS:000502143000003
Scopus: 2-s2.0-85075814234
РИНЦ: 43221043
Chemical Abstracts: 2019:1993786
Chemical Abstracts (print): 172:15424
PMID (PubMed): 31720637
OpenAlex: W2980554137
Цитирование в БД:
БД Цитирований
Scopus 8
Web of science 7
РИНЦ 4
OpenAlex 8
Альметрики: