Helmholtz-Zentrum Berlin für Materialien und Energie, Albert-Einstein-Strasse 15, 12489 Berlin, Germany.
Phys Chem Chem Phys. 2012 Apr 28;14(16):5331-8. doi: 10.1039/c2cp24028a. Epub 2012 Feb 8.
The aim of a more precise knowledge about molecular structures and the nature of chemical bonds is the driving force behind the development of numerous experimental methods and theories. Recent soft X-ray based techniques provide novel opportunities for tackling the structure and the dynamics of chemical and biochemical systems in solution. In our research group we are developing experimental methods for mapping the electronic structure and dynamics of molecular systems in solution during bond-building and breaking using soft X-ray absorption and emission spectroscopy. The combination of such recent developments with conventional spectroscopy as well as theoretical modeling allows us to address open questions about hydrogen bonds, thermodynamics and active centers of biological systems. Based on the core-hole clock and pump-probe spectroscopy dynamics on the time scale from sub-femtoseconds up to picoseconds can be revealed.
更精确地了解分子结构和化学键性质的目的是推动众多实验方法和理论发展的动力。最近基于软 X 射线的技术为解决溶液中化学和生物化学系统的结构和动力学问题提供了新的机会。在我们的研究小组中，我们正在开发实验方法，用于使用软 X 射线吸收和发射光谱在键形成和断裂过程中绘制溶液中分子系统的电子结构和动力学图谱。将这些最新进展与传统光谱学以及理论建模相结合，使我们能够解决有关氢键、热力学和生物系统活性中心的问题。基于核心孔时钟和泵浦探测光谱学，可在亚飞秒到皮秒的时间尺度上揭示动力学。
