Collision-induced dissociation of H 3 + ions

For collision energies between 100 and 500 eV the collision induced dissociation of H ₃ ⁺ colliding with H₂, He and Kr gas targets was measured. We obtained total cross sections and angular distributions of the charged collision fragments for the main reaction channels. H ₃ ⁺ +H₂→H⁺+2H² and H ₃ ⁺ +H₂→H ₂ ⁺ +H₂+H. An analysis of the kinetics yields that the dissociation proceeds via vibrational-rotational excitation of H ₃ ⁺ by mutually induced dipolmoments.     

Luminescent collisions of He+ and He++ ions with H2 molecules at energies below 2 keV

Spectroscopic studies of collisions between He⁺ and He⁺⁺ ions with H₂ gas target have been performed in the 200–600 nm wavelength range. Atomic lines of hydrogen Balmer series and several helium lines were identified and their excitation functions between 50 eV and 1 keV (2 keV for He⁺⁺) were determined.     

Determination of the ground state energies of the H 2 + , D 2 + and H 2 + molecular ions taking into account relativistic corrections

On the basis of determination of the asymptotic behavior of correlation functions of the corresponding field currents with the corresponding quantum numbers an analytic method for determination of the energy spectrum of three-body Coulomb system is suggested. Our results show that the constituent masses of particles, which we have defined as masses of particles in a bound state, differ from masses of particles in a free-state. The constituent mass to the free state mass relation for the electron is greater than the same mass relation for the proton, deuteron and triton. It was also found that this constituent electron mass has different values in each systems, i.e. in H ₂ ⁺ , D ₂ ⁺ and T ₂ ⁺ hydrogen molecular ions. The contributions of exchange and self-energy diagrams were taken into account in the determination of the energy spectrum of the three-body Coulomb system. Our results show that the self-energy diagram contribution is inversely proportional to the square of the constituent mass of particles. This contribution is sufficient for the electron and is negligible for the proton, deuteron and triton. When defining the energy and the wave function (WF), it is necessary to take into account the contributions of both the exchange and self-energy diagrams.     

Enhanced dissociation of H2+ into highly excited states by UV pulses

We theoretically study the dissociation of H₂⁺ by UV laser pulses as a function of the photon energy ω of the pulse. Our results show that pronounced enhancements of the dissociation into highly excited electronic states can be achieved at some critical ω. This is found to be attributed to a consecutively resonant excitation mechanism where the population is first transferred to the first excited state by absorbing one photon and then to higher states by absorbing another one or more photons at the same internuclear distance. This study indicates that the strong coupling between the lowest two states of H₂⁺ can significantly affect the dissociation through higher lying states.     

Collision-induced dissociation of hydrated adenosine monophosphate nucleotide ions: protection of the ion in water nanoclusters

Fragmentation of singly charged anions of adenosine 5'-monophosphate (AMP-) induced by collisions with neutral atoms (Ne, Na) has been studied at a collision energy of 50 keV. The experiments were performed with isolated AMP- as well as with AMP- anions nanosolvated in a cluster with a given number m of water molecules. In the first case, the dominant fragmentation channels concern the loss of adenine, PO3- and H2PO4-. In the latter, loss of water molecules becomes the dominating process, and the AMP- ion is fully protected when m is larger than approximately 13. The observed fragment distributions are well described with the model of an evaporative ensemble.     

N+2离子在氮直流辉光放电中碰撞离解的作用

采用氮辉光放电等离子体快电子和各种重粒子（N＋２，N＋，Nf）的混合Monte Carlo模型，从不同放电条件的离解碰撞率，快原子态粒子（N+，Nf）在阴极鞘层区的输运过程及轰击阴极的能量及角分布三个方面研究了 N＋２+N２→N+＋N+N2f反应在氮气直流辉光放电中的作用.该过程在电压较高时为阴极鞘层区的重要离解过程， 且主要发生在阴极附近，其碰撞率随电压和气压增加而增加；阴极表面附近的活性粒子（N＋，Nf）主要由该离解过程产生（而不是e--N2离解电离过程），而且这些粒子具有中等的平均能量且小角入射，是 关键词： 氮直流辉光放电 Monte Carlo模拟 N＋２-N２碰撞离解     

Screening effects in secondary electron production by equal velocity H+, H+2, He+, He++ions

Electron spectra produced by equal velocity (0.75 MeV/amu) H⁺, H⁺₂, He⁺ and He ⁺⁺ ions are shown. Screening effects are observed for He⁺ ions but not for H⁺₂. He⁺⁺ cross sections scale like Z² = 4 when compared to H⁺ cross sections.     

Discussion on the dissociation of fast HD+2 ions traversing thin foils

the discussion is on the following experimental results: The energy distribution of the H+ and D+ fragments resulting from the dissociation of HD+2 molecular ions at energy 1.497 7 MeV has been measured using the Coulomb explosion technique. The spectra were used to determine the binding energy of HD+2 and its structure. There existed differences between the spectral structures for proton and for deuteron.     

He+H2+ HeH++H反应的从头算势能面"

运用多参考组态相互作用（MRCI）方法及aug-cc-pv5z基组构造了HeH2+体系基态（1 ）从头算势能面。采用多体展开法共拟合了8840个能量点,拟合误差为0.0677Kcal/mol。基于新势能面,采用准经典轨线方法计算了碰撞能在0-2 eV范围内的积分反应截面,计算结果与实验结果符合较好。     

氢分子在Mg2Ni(010)面的吸附与分解

本文采用基于密度泛函理论(DFT)的第一原理赝势平面波(PW-PP)方法,对氢分子在Mg2Ni(010)面的吸附与分解进行了研究,发现氢分子以Horl的方式吸附在表面层Ni原子的顶位时吸附能最高,为0.6769 eV,这表明氢分子最可能以Horl的方式吸附在表面层Ni原子的顶位,此时氢分子跟表面的距离(rd)和氢分子的键长(rH)分别为1.6286 A和0.9174 (A).在分子吸附的基础上计算了氢分子沿着选取的反应路径分解时的反应势垒,发现要使氢分子分解需要0.2778 eV的活化能,而氢分子分解时的吸附能为0.8390 eV,分解后两个氢原子的距离为3.1712(A).在分子吸附和分解吸附时氢原子跟正下方的Ni原子都有较强的相互作用,氢原子所得到的电子主要来自氢分子正下方的Ni原子.     

Discussion on the dissociation of fast HD^＋2 ions traversing thin foils

the discussion is on the following experimental results:The energy distribution of the H^ and D^ fragments resulting from the dissociation of HD^ 2 molecular ions at energy 1.4977 MeV has been measured using the Coulomb explosion techoique,The spectra were used to determing the binding energy of HD^ 2 and its structure,There existed differenoes between the spectral structures for proton and for deuteron.     

N2O+离子A2∑+电子态的光解动力学研究

用一束波长为360.55nm的激光,通过N2O分子的(3+1)共振多光子电离(REMPI)过程制备纯净且布居完全处于X2Ⅱ(000)态的母体离子N2O+,然后用另一束波长在275-328nm范围内的可调谐激光将制备的N2O+离子激发至预解离电子态A2∑+.实验发现,由于解离碎片NO+所具有的一定的反冲速度,其TOF质谱峰明显比N2O+母体宽.通过分析NO+碎片TOF质谱峰形状,得到了解离产物的总平均平动能;通过考察随光解能量的变化,发现光解能量在32000cm-1附近约250cm-1的变化范围内,值由约8000cm-1突然减小至约1600cm-1.通过分析,在光解能量小于32000cm-1的区域,解离通道为NO+(X1∑+)+N(4S);而在光解能量大于32000cm-1的区域,另一个具有较高解离限的解离通道,NO+(X1∑+)+N(2D),开启并完全取代N(4S)通道成为解离的惟一通道.根据实验结果,对在所研究的光解能量范围内的N2O+离子A2∑+电子态预解离机理进行了探讨.     

Electric field dissociation of H+ 2: close-coupled scattering calculations

Close-coupling scattering calculations have been carried out to predict the magnitude of electric fields required to dissociate specific vibration—rotation levels in H⁺ ₂. Results for electric fields up to 40 kV cm^?1, which may dissociate levels up to 25 cm^?1 below the dissociation limit, are presented. The results are used to simulate spectra which are compared with experimental spectra. A method for extracting the eigenphase sum from a coupled channel scattering calculation is described in the appendix and used in the calculations.     

Diffraction dissociation of the proton into ΛK+ and (ΣK)+in π+ p interactions at 10.3 GeV/c

We observe a threshold ΛK⁺ enhancement in the reaction π⁺p → ΛK⁺π⁺ at 10.3 GeV/c. The production characteristics are very similar to those of the diffractive ΛK⁺ enhancement observed at the CERN ISR. The ΣKπ channels show no similar (ΣK)⁺ enhancement, as predicted by SU(6).     

Final-state interactions in the reaction H (p, 2p) n

The cross sections for the reaction ²H(p, 2p)n are calculated by taking into account final state interactions including S, P and D waves for all pairs of outgoing nucleons. The D-state wave functions of the deuteron are also included in the calculation. The angular correlation distributions of the cross sections are compared with data at 156 MeV incident protons.     

Polarization and charge transfer during the dissociation of H2 on Al(110)

We present a density functional calculation within the generalized gradient approximation of the H₂ induced dipole moment along the reaction path for dissociation outside an Al(110) surface. The dipole moment is found to change sign during the adsorption process, being positive far from the surface and negative closer in where the antibonding H₂ level is being filled. Assuming this variation to be qualitatively similar for other surfaces, we can classify the effect of an electrostatic field or an adsorbed alkali atom on the adsorption process according to whether the barrier to adsorption is in the entrance channel or the exit channel. The electrostatic interaction model is shown to qualitatively explain why adsorbed alkalies promote the dissociation of     

啁啾脉冲对氢分子离子解离动力学的影响

本文通过数值求解一维含时薛定谔方程,理论研究了超短啁啾脉冲（5-fs,790-nm）对处于低振动态氢分子离子解离动力学的影响. 研究过程中有效利用流算符的方法得到不同激光强度下的解离几率及核波包密度分布. 结果表明：低强度的啁啾脉冲可显著增强低振动态氢分子离子的解离过程,使解离过程提前发生并在较短的时间内获得较多的解离产物, 并给出相应的理论解释.