Counting Cations Involved in Cationic Clusters of Hydroxy-Functionalized Ionic Liquids by Means of Infrared and Solid-State NMR Spectroscopy | Sciact - CRIS-system of Boreskov Institute of Catalysis

Counting Cations Involved in Cationic Clusters of Hydroxy-Functionalized Ionic Liquids by Means of Infrared and Solid-State NMR Spectroscopy Full article

Journal

PCCP: Physical Chemistry Chemical Physics
ISSN: 1463-9076 , E-ISSN: 1463-9084

Output data

Year: 2020, Volume: 22, Number: 13, Pages: 6861-6867 Pages count : 7 DOI: 10.1039/d0cp00303d

Tags

QUADRUPOLE COUPLING-CONSTANTS; INTERACTION STRENGTH; INTERACTION ENERGIES; CHARGE ATTRACTION; DISPERSION FORCES; DYNAMICS; BALANCE

Authors

Strate Anne ^1,2 , Neumann Jan ¹ , Niemann Thomas ¹ , Stange Peter ¹ , Khudozhitkov Alexander E. ^3,4 , Stepanov Alexander G. ^3,4 , Paschek Dietmar ^1,2 , Kolokolov Daniil I. ^3,4 , Ludwig Ralf ^1,2,5

Affiliations

1	Universität Rostock, Institut für Chemie, Abteilung für Physikalische Chemie, Dr-Lorenz-Weg 2, 18059 Rostock, Germany
2	Department LL&M, University of Rostock, Albert-Einstein-Str. 25, 18059 Rostock, Germany
3	Boreskov Institute of Catalysis, Siberian Branch of Russian Academy of Sciences, Prospekt Akademika Lavrentieva 5, Novosibirsk 630090, Russia
4	Novosibirsk State University, Pirogova Street 2, Novosibirsk 630090, Russia
5	Leibniz-Institut für Katalyse an der Universität Rostock e.V., Albert-Einstein-Str. 29a, 18059 Rostock, Germany

Funding (4)

1	Federal Agency for Scientific Organizations	0303-2016-0003
2	German Research Foundation	LU 506/14-1
3	German Research Foundation	LU 506/14-2 (286149019)
4	Rostock University

In hydroxy-functionalized ionic liquids, two types of hydrogen bonding coexist: the conventional H-bonds between cation and anion (c-a) and those between cation and cation (c-c), although the interaction between like-charged ions is supposed to be much weaker due to the repulsive Coulomb forces. Counting the cations involved in either (c-a) or (c-c) clusters is a challenge. For that purpose, we recently performed neutron diffraction (ND) measurements and molecular dynamics (MD) simulations at and above room temperature accompanied by NMR solid-state experiments in the glassy state of the ILs. In principle, these methods are suitable for determining the populations of (c-a) and (c-c) cluster species. For different reasons we could only address single temperatures and/or small temperature intervals above 300 K. The by far largest temperature range with reasonable efforts is accessible by simple infrared (IR) spectroscopy. However, counting (c-a) or (c-c) hydrogen bonds is a difficult task due to the different transition dipole moments resulting in varying intensities and broad vibrational bands. Here we present a method for deriving the number of cations involved in (c-a) ion pairs from IR spectra in the OH stretch region. This procedure provides access to the equilibria of (c-a) and (c-c) hydrogen bonds as a function of temperature allowing derivation of the transition enthalpy.

Strate A. , Neumann J. , Niemann T. , Stange P. , Khudozhitkov A.E. , Stepanov A.G. , Paschek D. , Kolokolov D.I. , Ludwig R.
Counting Cations Involved in Cationic Clusters of Hydroxy-Functionalized Ionic Liquids by Means of Infrared and Solid-State NMR Spectroscopy
PCCP: Physical Chemistry Chemical Physics. 2020. V.22. N13. P.6861-6867. DOI: 10.1039/d0cp00303d WOS Scopus РИНЦ AN PMID OpenAlex

Submitted:	Jan 17, 2020
Accepted:	Mar 15, 2020
Published online:	Mar 16, 2020
Published print:	Apr 7, 2020

Web of science:	WOS:000524512700005
Scopus:	2-s2.0-85083041725
Elibrary:	43259969
Chemical Abstracts:	2020:499648
PMID:	32202267
OpenAlex:	W3011302308

DB	Citing
Scopus	17
Web of science	14
Elibrary	17
OpenAlex	17