Dissociative electron attachment cross sections for ro-vibrationally excited NO molecule and N- anion formation

Dissociative recombination and rotational transitions of D$_2^+$ in collisions with slow electrons

Rate coefficients for dissociative recombination and state-to-state rotational transitions of the D$_{2}^{+}$ ion induced by collisions with very low-energy electrons have been reported following our previous studies on HD$^{+}$ and H$_{2}^{+}$ [9,10]. The same molecular structure data sets, excitations ($N_{i}^{+} \rightarrow$ $N_{f}^{+}=N_{i}^{+}+2$ for $N_{i}^{+}=0$ to $10$) and de-excitations ($N_{i}^{+}$ $\rightarrow$ $N_{f}^{+}=N_{i}^{+}-2$, for $N_{i}^{+}=2$ to $10$) were used for collision energies ranging from $0.01$ meV to $0.3$ eV. Isotopic effects for dissociative recombination and…

电子碰撞氘分子的振动激发与解离

Vibrational excitation and dissociation of deuterium molecule by electron impact

本文使用局部复势方法研究电子-D2共振碰撞，给出了涉及基态和前两激发态的振动分辨截面，并考虑激发态间跃迁，为聚变等离子体偏滤器分离状态提供数据。

Dissociative recombination of H3+ in the ground and excited vibrational states

The article presents calculated dissociative recombination (DR) rate coefficients for H+3 . The previous theoretical work on H+3 was performed using the adiabatic hyperspherical approximation to calculate the target ion vibrational states and it considered just a limited number of ionic rotational states. In this study, we use accurate vibrational wave functions and a larger number of possible rotational states of the H3+ ground vibrational level. The DR rate coefficient obtained is found to agree better with the experimental data from storage-ring experiments than the previous theoretical cal…

通过DEA到2-丙醇的2粒子1孔Feshbach共振形成羟基阴离子：一项联合实验和理论研究

Formation of Hydroxyl Anion via a 2-Particle 1-Hole Feshbach Resonance in DEA to 2-Propanol: A Joint Experimental and Theoretical Study

本研究通过联合实验和理论方法，揭示了低能电子诱导2-丙醇中羟基阴离子形成的关键机制，发现2粒子1孔Feshbach共振在位点特异性键断裂中的重要作用。

Low energy electron interactions with resveratrol and resorcinol: anion states and likely dissociation pathways

We report a computational study of the anion states of the resveratrol (RV) and resorcinol (RS) molecules, also investigating dissociative electron attachment (DEA) pathways. RV has well known beneficial effects in human health, and its antioxidant activity was previously associated with DEA reactions producing H$_2$. Our calculations indicate a valence bound state ($π^*_1$) and four resonances ($π^*_2$ to $π^*_5$) for that system. While the computed thermodynamical thresholds are compatible with DEA reactions producing H$_2$ at 0~eV, the well known mechanism involving vibrational Feshbach res…

Ro-vibrational analysis of the XUV photodissociation of HeH$^+$ ions

We investigate the dynamics of the photodissociation of the hydrohelium cation HeH$^+$ by XUV radiation with the aim to establish a detailed comparison with a recent experimental work carried out at the FLASH free electron laser using both vibrationally hot and cold ions. As shown in previous theoretical works, the comparison is hindered by the fact that the experimental ro-vibrational distribution of the ions is unknown. We determine this distribution using a dissociative charge transfer set-up and the same source conditions as in the FLASH experiment. Using a non-adiabatic time-dependent wav…

Investigating resonant low-energy electron attachment to formamide: dynamics of model peptide bond dissociation and other fragmentation channels

We report experimental results on three-dimensional momentum imaging measurements of anions generated via dissociative electron attachment to gaseous formamide. From the momentum images, we analyze the angular and kinetic energy distributions for NH$_2^{-}$, O$^{-}$, and H$^{-}$ fragments and discuss the possible electron attachment and dissociation mechanisms for multiple resonances for two ranges of incident electron energies, from 5.3~eV to 6.8~eV, and from 10.0~eV to 11.5~eV. {\it Ab initio} theoretical results for the angular distributions of the NH$_2^{-}$ anion for $\sim$6~eV incident e…

2-粒子-1-空穴Feshbach共振形成羟基阴离子的强证据

Strong Evidence for Formation of Hydroxyl Anion via 2-Particle-1-Hole Feshbach Resonances

本研究通过CAP-EOM-EA-CCSD计算和质谱实验，证明2-丙醇中7-11 eV电子能量下OH⁻形成由2p-1h Feshbach共振主导，态25和28驱动碎裂，实验在8.6 eV观察到产率峰，支持位点特异性机制。

Vibrational Quenching of CN- in Collisions with He and Ar

The vibrational quenching cross sections and corresponding low-temperature rate constants for the v = 1 and v = 2 states of CN- colliding with He and Ar atoms have been computed ab initio using new three dimensional potential energy surfaces. Little work has so far been carried out on low-energy vibrationally inelastic collisions for anions with neutral atoms. The cross sections and rates calculated at energies and temperatures relevant for both ion traps and astrochemical modelling, are found by the present calculations to be even smaller than those of the similar C2- /He and C2-/Ar systems w…

羰基硫化物电子冲击碎裂动力学：实验与理论相结合的研究

Electron Impact Fragmentation Dynamics of Carbonyl Sulfide: A Combined Experimental and Theoretical Study

本研究通过实验和理论结合，探讨了羰基硫化物在电子冲击下的碎裂动力学，揭示了不同能量下离子对解离机制及碎片形成过程。