University of Oulu

Dong, Y., Shah, S., Pranesh, M., Prokkola, H., Kärkkäinen, J., Leveque, J., Lassi, U., Lethesh, K. (2018) Azepanium based protic ionic liquids: Synthesis, thermophysical properties and COSMO-RS study. Journal of Molecular Liquids, 264, 24-31. doi:10.1016/j.molliq.2018.05.031

Azepanium based protic ionic liquids : synthesis, thermophysical properties and COSMO-RS study

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Author: Dong, Yue1,2; Shah, Syed Nasir3,4; Pranesh, Matheswaran4;
Organizations: 1University of Oulu, Research Unit of Sustainable Chemistry
2Centria University of Applied Sciences
3Department of Chemical Engineering, COMSATS Institute of Information Technology
4Centre of Research in Ionic Liquids, Universiti Teknologi PETRONAS
5Univ. Savoie Mont Blanc
6Department of Chemistry, Faculty of Natural Science and Technology, Norwegian University of Science and Technology
Format: article
Version: accepted version
Access: open
Online Access: PDF Full Text (PDF, 1 MB)
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Language: English
Published: Elsevier, 2018
Publish Date: 2020-05-09


Protic ionic liquids (ILs) with seven-membered azepanium cation were synthesized and characterized. The molecular structure of the synthesized ILs was confirmed using 1H NMR and 13C NMR spectroscopy. In one hand, sulfonic acid (SO3H) group was tethered to the azepanium moiety combined with HSPO4 or H2PO4−anion and on the other hand azepanium based alkyl sulfate ILs were synthesized by reacting azepane with corresponding dialkyl sulfates. Thermo-physical properties (density, viscosity, glass transition temperature, thermal decomposition temperature) of the synthesized ILs were measured. All the studied ILs showed good thermal stability. From the viscosity and density data of alkyl sulfate ILs, the volumetric properties such as molar volume, lattice energy and standard molar entropy were calculated. COSMO-RS was used to predict hydrogen bonding energy, interaction energy, Van der Waals energy and H-bond accepting and H-bond donating nature of these pure ILs. Activity coefficient values have also predicted for these ILs with cellulose.

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Series: Journal of molecular liquids
ISSN: 0167-7322
ISSN-E: 1873-3166
ISSN-L: 0167-7322
Volume: 264
Pages: 24 - 31
DOI: 10.1016/j.molliq.2018.05.031
Type of Publication: A1 Journal article – refereed
Field of Science: 116 Chemical sciences
Funding: Author Yue Dong wants to acknowledge the support of BioraffBotnia project (nr.20200327) EU/InterregBotnia-Atlantica in this study.
Copyright information: © 2018. This manuscript version is made available under the CC-BY-NC-ND 4.0 license