We have studied strong-field enhanced dissociative ionization of D$_{2}$O in 40 fs, 800 nm laser pulses with focused intensities of $< 1 - 3 \times 10^{15}W/cm^2$ by resolving the charged fragment momenta with respect to the laser polarization. We observe dication dissociation into OD$^{+}$/D$^{+}$ dominates when the polarization is out of the plane of the molecule, whereas trication dissociation into O$^{+}$/D$^{+}$/D$^{+}$ is strongly dominant when the polarization is aligned along the D-D axis. Dication dissociation into O/D$^{+}$/D$^{+}$, and O$^{+}$/D$_2$$^{+}$ is not seen, nor is there any significant fragmentation into multiple ions when the laser is polarized along the C$_{2v}$ symmetry axis of the molecule. Even below the saturation intensity for OD$^{+}$/D$^{+}$, the O$^{+}$/D$^{+}$/D$^{+}$ channel has higher yield. By analyzing how the laser field is oriented within the molecular frame for both channels, we show that enhanced ionization is driving the triply charged three body breakup, but is not active for the doubly charged two body breakup. We conclude that laser-induced distortion of the molecular potential suppresses multiple ionization along the C$_{2v}$ axis, but enhances ionization along the D-D direction.
Fine- and hyperfine-structure effects in molecular photoionization: II. Resonance-enhanced multiphoton ionization and hyperfine-selective generation of molecular cations
Observation of multiple ionization pathways for OCS in an intense laser field resolved by three-dimensional covariance mapping and visualized by hierarchical ionization topology
Visualizing intense laser field driven electron dynamics in a multielectron molecule: dynamic electron localization, bonding properties and multiple ionization bursts
Rotational-state-controlled dissociative ionization dynamics in $\mathrm{CF_2I_2}$
Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY（自由电子激光科学中心，德国电子同步加速器）；Department of Chemistry, Universität Hamburg（汉堡大学化学系）；Department of Physics, Universität Hamburg（汉堡大学物理系）；Center for Ultrafast Imaging, Universität Hamburg（超快成像中心，汉堡大学）
CO2-Activation and Enhanced Capture by C6Li6: A Density Functional Approach
二氧化碳是温室气体的主要组成部分，其捕获和储存是能够对全球碳平衡产生积极影响的关键步骤。二氧化碳的捕获由于其极高的稳定性而变得困难。在这项研究中，我们提出了一种简单而有效的方法来捕获和储存二氧化碳的C6 Li 6。C_6Li_6具有平面星状结构，其电离能低于Li原子，表现出超碱金属的性质。超碱金属是具有比碱金属原子低的电离能的不寻常的物质。采用长程色散校正的密度泛函方法（ω B_（97）xD/6-311+G（d）），系统地研究了连续CO_2分子与C_6Li_6的相互作用.我们注意到，这些相互作用导致稳定的C6 Li 6-nCO 2复合物（n = 1-6），其中CO2部分的结构由于来自C6 Li 6的电子转移而略微弯曲（122- 125度），其平面性仅轻微扭曲（小于或等于7度）。这清楚地表明，C6 Li 6可以成功地激活和捕获CO2分子。分析了CO_2的键长、键角、电荷和吸附能随吸附CO_2数（n）的变化关系。随着n的增加，C6 Li 6-nCO 2复合物中CO2的键长单调增加，而吸附能则减小，在3.18-2.79 eV/CO2之间。这些发现不仅确立了C6 Li 6用于捕获和储存CO2分子的潜力，而且还为具有低电离能的系统对CO2活化、捕获和储存提供了新的见解。
