Proton conducting system (ImH2)2SeO4·2H2O investigated with vibrational spectroscopy.
Imidazolium selenate dihydrate (ImH2)2SeO4·2H2O crystals have been investigated using Raman and IR spectroscopy. Experimental data were supported by the quantum-chemical calculations (DFT), Hirshfield surfaces and fingerprint plots analysis, and Bader theory calculations. The imidazolium selenate dihydrate crystal exhibits high proton conductivity of the order of ~10-1S/m at T=333K. The spectra of this compound are dominated by bands related to the lattice modes, the internal vibrations of the protonated imidazole cation, selenate anion, water molecules, and hydrogen bonds network. For the imidazolium selenate dihydrate crystal, the formal classification of the fundamental modes has been carried out.
Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland; Poznan University of Technology, Piotrowo 3, 60-965 Poznań, Poland.
Sylwia
S
Zięba
Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland; Poznan University of Technology, Piotrowo 3, 60-965 Poznań, Poland.
Adam
A
Mizera
Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland.
Katarzyna
K
Pogorzelec-Glaser
Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland. Electronic address: lapinski@ifmpan.poznan.pl.
Andrzej
A
Łapiński
DFT calculations; Hydrogen bonding; IR and Raman spectroscopy; Imidazolium selenate dihydrate; Proton conductors