脉冲紫外光泵浦/ X 射线探测技术研究甘氨酸中的振动动力学。

Elettra Sinctrotrone Trieste SCpA, Strada Statale 14 - km 163, 5, 34149, Basovizza, Trieste, Italy.

Department of Chemistry, University of California, Irvine, California, 92697-2025, USA.

Sci Rep. 2018 Oct 18;8(1):15466. doi: 10.1038/s41598-018-33607-4.

We report an ab-initio study of a pump-probe experiment on the amino-acid glycine. We consider an UV pump followed by an X-ray probe tuned to carbon K-edge and study the vibronic structure of the core transition. The simulated experiment is feasible using existing free electron laser or high harmonic generation sources and thanks to the localization of the core orbitals posseses chemical selectivity. The present theory applies to other experimental schemes, including the use of a THz probe, available with present soft X-ray free electron lasers and/or high harmonic generation sources.

我们报告了一个关于氨基酸甘氨酸的泵浦探测实验的从头算研究。我们考虑了一个 UV 泵浦，随后是一个调谐到碳 K 边的 X 射线探针，并研究了核心跃迁的振子结构。模拟实验使用现有的自由电子激光或高次谐波产生源是可行的，并且由于核心轨道的局域化具有化学选择性。本理论适用于其他实验方案，包括使用太赫兹探针，这在现有的软 X 射线自由电子激光和/或高次谐波产生源中是可用的。