| Autor: |
Nunes, J. P. F., Williams, M., Yang, J., Wolf, T. J. A., Rankine, C. D., Parrish, R., Moore, B., Wilkin, K., Shen, X., Lin, Ming-Fu, Hegazy, K., Li, R., Weathersby, S., Martinez, T. J., Wang, X. J., Centurion, M. |
| Zdroj: |
Physical Chemistry Chemical Physics (PCCP); 7/14/2024, Vol. 26 Issue 26, p17991-17998, 8p |
| Abstrakt: |
The photo-induced dynamics of o-nitrophenol, particularly its photolysis, has garnered significant scientific interest as a potential source of nitrous acid in the atmosphere. Although the photolysis products and preceding photo-induced electronic structure dynamics have been investigated extensively, the nuclear dynamics accompanying the non-radiative relaxation of o-nitrophenol on the ultrafast timescale, which include an intramolecular proton transfer step, have not been experimentally resolved. Herein, we present a direct observation of the ultrafast nuclear motions mediating photo-relaxation using ultrafast electron diffraction. This work spatiotemporally resolves the loss of planarity which enables access to a conical intersection between the first excited state and the ground state after the proton transfer step, on the femtosecond timescale and with sub-Angstrom resolution. Our observations, supported by ab initio multiple spawning simulations, provide new insights into the proton transfer mediated relaxation mechanism in o-nitrophenol. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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