排序方式: 共有1条查询结果,搜索用时 0 毫秒
1
1.
Dr. Miguel Lara-Moreno Hassiel Negrin-Yuvero Prof. German Rojas-Lorenzo Prof. John G. McCaffrey 《Chemphyschem》2023,24(12):e202300046
Molecular dynamics with quantum transitions approach is employed to simulate the spectroscopic characteristics of the 1P1↔1S0 transitions in atomic zinc and cadmium in order to gain insight into the excited state behavior of these atoms isolated in solid rare gases neon, argon, and krypton. The absorption and emission spectra are simulated. Non-radiative processes play a fundamental role in the transfer of population among the three electronic states initially accessed in absorption. Three distinct relaxation pathways were identified. Two of these are related to the dynamical modes described in previous works [McCaffrey and Kerins, J. Chem. Phys. 106 , 7885 (1997); Kerins and McCaffrey, J. Chem. Phys. 109 , 3131 (1998)] in which the system evolves to form a square planar configuration around the metal atom. The third distinct pathway involves motion on a hexagonal close packed plane. The temperature dependence of complex formation was also determined for the three relaxation pathways. 相似文献
1