| Full text | |
| Author(s): |
Total Authors: 2
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| Affiliation: | [1] Univ Sao Paulo, Inst Quim, Dept Quim Fundamental, Lab Espectroscopia Mol, BR-05508000 Sao Paulo, SP - Brazil
Total Affiliations: 1
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| Document type: | Journal article |
| Source: | Journal of Physical Chemistry B; v. 124, n. 13, p. 2661-2667, APR 2 2020. |
| Web of Science Citations: | 0 |
| Abstract | |
The terahertz spectrum encodes information about dynamics, structure, and intermolecular interactions of liquids being probed both experimentally and computationally by techniques such as Raman and far-infrared spectroscopies and molecular dynamics (MD) simulation. In the case of room temperature ionic liquids (RTILs), there has been a debate whether a mode observed at about 1.5-2.7 THz (50-90 cm(-1)) is due to a quasi-lattice structure or the formation of complex ions. Here we show through the analysis of Raman and far-infrared spectra and MD simulation of a typical RTIL that this mode has a collective optic-like character. Then, employing a simple model based on the theory for optical phonons in crystals, we show that a correlation between the frequency of this mode and material parameters holds for different RTILs. These results, which encompass a wide range of samples, reinforce a quasi-lattice view of the liquid phase. (AU) | |
| FAPESP's process: | 16/21070-5 - Vibrational spectroscopy with spatial resolution |
| Grantee: | Mauro Carlos Costa Ribeiro |
| Support Opportunities: | Research Projects - Thematic Grants |
| FAPESP's process: | 15/07516-8 - Collective dynamics of ionic liquids |
| Grantee: | Vitor Hugo Paschoal |
| Support Opportunities: | Scholarships in Brazil - Doctorate (Direct) |
| FAPESP's process: | 19/00207-0 - Density functional theory applyed to vibrational dynamics of crystals of ionic systems. |
| Grantee: | Vitor Hugo Paschoal |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |