Structure and Dynamics of the Superprotonic Conductor Caesium Hydrogen Sulfate, CsHSO4
Abstract
1. Introduction
2. Results and Discussion
2.1. CsHSO4 Spectroscopy
2.2. CsDSO4 Spectroscopy
2.3. CsHSO4 Structure
3. Materials and Methods
4. Conclusions
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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Phase III | Phase II | Phase I | Assign 3 | ||||||
---|---|---|---|---|---|---|---|---|---|
Cal 1 | INS 2 | Raman | Cal | INS | Raman | Cal | INS | Raman | |
10 K | 10 K | 10 K | 10 K | 430 K | 430 K | ||||
0–96 | 32–88 w | 0–96 | 25–1010 w | 0–93 | Translations | ||||
102 | 107 m | 103 | 105 w | 101 | HSO4 Libration | ||||
116 | 120 w | 123 | 123 w | 117 | HSO4 Libration | ||||
219 | 202,212,218 w,w,w | 221 w | 199 | 192,203 sh,w | 194 | HSO4 Libration | |||
399 | 398 | 404 | 414 s | ν2 O–S–O bend | |||||
441 | 421 s | 432 | 425,441,462 m,m,m | 415,430 s,s | 426 | 430 m | 432 sh | ν2 O–S–O bend | |
547 | 549 | 552 | ν4 O–S–O bend | ||||||
560 | 572,589 m,m | 570,589 m,s | 561 | 590 m | 579,587 m,s | 561 | ν4 O–S–O bend | ||
593 | 606,614 m,m | 605,619 m,m | 580 | 600,612 m,m | 601 s | 577 | 582 s | ν4 O–S–O bend | |
822 | 866 s | 821 | 863 s | 818 | 823 m,br | S–OH stretch | |||
942 | 865,902 vs,s | 913 | 830 vs | 904 | 746 s | S–O–H oop bend | |||
984 | 995 vs | 1006 | 1032 w | 1016 vs | 1011 | 1027 vs | ν1 S–O sym stretch | ||
1133 | 1178 s | 1146 | 1173 m | 1140 | 1177 w,br | ν3 S–O asym stretch | |||
1252 | 1255 m | 1215 | 1256 m | 1210 | 1210 w,br | ν3 S–O asym stretch | |||
1372 | 1368 s | 1320 | 1332 s | 1324 | 1295 s | S–OH ip bend | |||
2589 | 2733 | 2757 | 3185 | O–H stretch |
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Parker, S.F.; Cavaye, H.; Callear, S.K. Structure and Dynamics of the Superprotonic Conductor Caesium Hydrogen Sulfate, CsHSO4. Molecules 2020, 25, 1271. https://doi.org/10.3390/molecules25061271
Parker SF, Cavaye H, Callear SK. Structure and Dynamics of the Superprotonic Conductor Caesium Hydrogen Sulfate, CsHSO4. Molecules. 2020; 25(6):1271. https://doi.org/10.3390/molecules25061271
Chicago/Turabian StyleParker, Stewart F., Hamish Cavaye, and Samantha K. Callear. 2020. "Structure and Dynamics of the Superprotonic Conductor Caesium Hydrogen Sulfate, CsHSO4" Molecules 25, no. 6: 1271. https://doi.org/10.3390/molecules25061271
APA StyleParker, S. F., Cavaye, H., & Callear, S. K. (2020). Structure and Dynamics of the Superprotonic Conductor Caesium Hydrogen Sulfate, CsHSO4. Molecules, 25(6), 1271. https://doi.org/10.3390/molecules25061271