|
Hokkaido University Collection of Scholarly and Academic Papers >
Institute for Catalysis >
Peer-reviewed Journal Articles, etc >
Excited-State Relaxation of Hydrated Thymine and Thymidine Measured by Liquid-Jet Photoelectron Spectroscopy: Experiment and Simulation
This item is licensed under:Creative Commons Attribution 4.0 International
| Title: | Excited-State Relaxation of Hydrated Thymine and Thymidine Measured by Liquid-Jet Photoelectron Spectroscopy: Experiment and Simulation |
| Authors: | Buchner, Franziska Browse this author | | Nakayama, Akira Browse this author →KAKEN DB | | Yamazaki, Shohei Browse this author | | Ritze, Hans-Hermann Browse this author | | Luebcke, Andrea Browse this author |
| Issue Date: | 5-Mar-2015 |
| Publisher: | American Chemical Society |
| Journal Title: | Journal of the American Chemical Society |
| Volume: | 137 |
| Issue: | 8 |
| Start Page: | 2931 |
| End Page: | 2938 |
| Publisher DOI: | 10.1021/ja511108u |
| Abstract: | Time-resolved photoelectron spectroscopy is performed on thymine and thymidine in aqueous solution to study the excited-state relaxation dynamics of these molecules. We find two contributions with sub-ps lifetimes in line with recent excited-state QM/MM molecular dynamics simulations (J. Chem. Phys. 2013, 139, 214304). The temporal evolution of ionization energies for the excited pi pi* state along the QM/MM molecular dynamics trajectories were calculated and are compatible with experimental results, where the two contributions correspond to the relaxation paths in the pi pi* state involving different conical intersections with the ground state. Theoretical calculations also show that ionization from the n pi* state is possible at the given photon energies, but we have not found any experimental indication for signal from the n pi* state. In contrast to currently accepted relaxation mechanisms, we suggest that the n pi* state is not involved in the relaxation process of thymine in aqueous solution. |
| Rights: | http://creativecommons.org/licenses/by/4.0/ |
| Type: | article |
| URI: | http://hdl.handle.net/2115/58853 |
| Appears in Collections: | 触媒科学研究所 (Institute for Catalysis) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)
|
Submitter: 中山 哲
|
