2018 Fiscal Year Research-status Report
Electronic structure characterization of non-aqueous solvents
| Project/Area Number |
18K14178
|
|---|
| Research Institution | Kyoto University |
|---|
Principal Investigator |
|
|---|
| Project Period (FY) |
2018-04-01 – 2020-03-31
|
| Keywords | electron spectroscopy / non-aqueous solvents / electronic structure |
|---|
| Outline of Annual Research Achievements |
This study aims to systematically study the electronic structure of several important non-aqueous solvents (the current project proposes dimethyl sulfoxide, acetonitrile, ethanol, and methanol) using photoelectron spectroscopy as a foundation for future research on non-aqueous solutions. The liquids will be characterized regarding their electronic structure, specifically, gas-to-liquid shifts, impact of intermolecular bonding, and structural effects. Experimental data on electrochemical properties will serve as benchmark values for theoretical models. Then, solvation effects on simple ions and organic molecules can be studied to gain insights into possible effects like steric hindered solvation and specific solvent-solute interaction in these non-aqueous solvents.
|
| Current Status of Research Progress |
Current Status of Research Progress
2: Research has progressed on the whole more than it was originally planned.
Reason
Out of the four proposed liquids, two of them (ethanol, and methanol) have been largely characterized. Spectra with high detail have been taken, which enabled the detailed identification of orbital changes as well as solvation shifts compared to gas phase species. It has been found that the temperature control system purchased with the funding not only provides means to freely adjust the temperature, but also largely improves the stability of the measurement, as the increased viscosity of the alcohols at lower temperatures stabilizes the flow of the used liquid jet system. As expected, electrokinetic charging seems to play a minor role in these solvents as compared with polar liquids like water.
|
| Strategy for Future Research Activity |
The experiments will proceed as before. The necessary equipment is available to measure the remaining two liquids. If the experiments proceed well an option would be to include additional solvents such as 1-propanol to study the influence of side-chain lengths on electronic properties such as polarization screening. The inclusion of computational simulation support is planned to quantify the observed spectra as well as lay a first step towards a theoretical description of solvation properties. A collaboration with the Fritz Haber Institute and DESY Synchrotron Facility in Germany promises access to additional synchrotron based studies.
|
| Causes of Carryover |
The funding was to be used for the business trip to Germany in December 2018. However, due to sudden illness during the trip the schedule had to be shortened which reduced the overall costs considerably. The money will be used for another business trip scheduled this year. Smaller amounts will be invested in consumables, such as glass ware or tubing for experiments, which is replaced regularly.
|
