Observation of the geometric phase effect in the H+HD→H2+D reaction below the conical intersection
| Autor: | Xueming Yang, Wentao Chen, Xingan Wang, Yuxin Tan, Shengrui Yu, Zhigang Sun, Si-wen Wang, Hailin Zhao, Yin Huang, Chang Luo, Daofu Yuan |
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| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
Physics
Multidisciplinary Scattering Quantum dynamics Science Phase (waves) General Physics and Astronomy 02 engineering and technology General Chemistry Function (mathematics) Conical intersection 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Molecular physics General Biochemistry Genetics and Molecular Biology 0104 chemical sciences Crossed molecular beam Geometric phase lcsh:Q 0210 nano-technology lcsh:Science Quantum |
| Zdroj: | Nature Communications, Vol 11, Iss 1, Pp 1-7 (2020) |
| ISSN: | 2041-1723 |
| Popis: | It has long been known that there is a conical intersection (CI) between the ground and first excited electronic state in the H3 system. Its associated geometric phase (GP) effect has been theoretically predicted to exist below the CI since a long time. However, the experimental evidence has not been established yet and its dynamical origin is waiting to be elucidated. Here we report a combined crossed molecular beam and quantum reactive scattering dynamics study of the H+HD → H2+D reaction at 2.28 eV, which is well below the CI. The GP effect is clearly identified by the observation of distinct oscillations in the differential cross section around the forward direction. Quantum dynamics theory reveals that the GP effect arises from the phase alteration of a small part of the wave function, which corresponds to an unusual roaming-like abstraction pathway, as revealed by quasi-classical trajectory calculations. |
| Databáze: | OpenAIRE |
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