“…69 Such reactions had been shown by initial crossed-beam experiments to generate pairs of monocations as reaction products, for example, as in eqn. [4], making them ideally suited for investigation using a coincidence approach. 42 In the current implementation of these coincidence techniques to investigate the dynamics of the bimolecular reactivity of dications ( Figure 5), an approach that bears some similarity to the reaction microscope experiment, 73 a pulsed beam of energy-selected ions, containing the dication of interest, is generated from a specially designed ion source.…”
Section: +mentioning
confidence: 99%
“…A particularly useful aspect of this coincidence approach is that for a three-body reaction (eqn. [4]), conservation of momentum in the CM frame allows the nascent momenta of the neutral third body (m n w n ) to be derived from the known masses (m 1 , m 2 ) and velocities (w 1 , w 2 ) of the detected pair of monocations for each reactive event: 24 0 ¼ m 1 w 1 + m 2 w 2 + m n w n [5] This analysis allows complete characterization of the kinematics of such three-body bimolecular reactions, which, as we will see later, provides a detailed and fascinating insight into their reaction mechanisms. For more experimental details of the coincidence experiments, and the subtleties of the data processing, the reader is referred to Refs.…”
Section: +mentioning
confidence: 99%
“…In the years following the mass spectrometric observation of CO 2+ , a large number of diatomic molecular dications have been detected, 4 but for many years, small molecular dications were largely regarded as mass spectrometric curiosities. This situation started to change in the 1980s, when a series of new experimental techniques began to reveal the structure and properties of isolated molecular dications.…”
“…69 Such reactions had been shown by initial crossed-beam experiments to generate pairs of monocations as reaction products, for example, as in eqn. [4], making them ideally suited for investigation using a coincidence approach. 42 In the current implementation of these coincidence techniques to investigate the dynamics of the bimolecular reactivity of dications ( Figure 5), an approach that bears some similarity to the reaction microscope experiment, 73 a pulsed beam of energy-selected ions, containing the dication of interest, is generated from a specially designed ion source.…”
Section: +mentioning
confidence: 99%
“…A particularly useful aspect of this coincidence approach is that for a three-body reaction (eqn. [4]), conservation of momentum in the CM frame allows the nascent momenta of the neutral third body (m n w n ) to be derived from the known masses (m 1 , m 2 ) and velocities (w 1 , w 2 ) of the detected pair of monocations for each reactive event: 24 0 ¼ m 1 w 1 + m 2 w 2 + m n w n [5] This analysis allows complete characterization of the kinematics of such three-body bimolecular reactions, which, as we will see later, provides a detailed and fascinating insight into their reaction mechanisms. For more experimental details of the coincidence experiments, and the subtleties of the data processing, the reader is referred to Refs.…”
Section: +mentioning
confidence: 99%
“…In the years following the mass spectrometric observation of CO 2+ , a large number of diatomic molecular dications have been detected, 4 but for many years, small molecular dications were largely regarded as mass spectrometric curiosities. This situation started to change in the 1980s, when a series of new experimental techniques began to reveal the structure and properties of isolated molecular dications.…”
“…In the latter case, we have the so-called molecular dications. The reader can refer to some interesting recent review papers by Alagia et al [6] and by Sabzyan et al [13] in order to have an overview of the main characteristics and the importance of such doubly charged species. These ionic species can be produced by different techniques, such as mass spectrometry [14], ion-molecule reactions [15], and double photoionization processes [16][17][18][19].…”
Section: Introductionmentioning
confidence: 99%
“…In fact, molecular dications can be produced in very stable electronic states that allow them to survive several seconds, a lifetime compatible with collision events in such rarefied environments because the typical time between collisions at altitudes corresponding to the peak ionic density of planetary ionospheres is no longer than 1 s [28]. For such a reason, a stable doubly charged ion can be lost in such environments through one of the following reactions: (i) chemical reaction with a neutral partner; (ii) recombination with a thermal electron; or (iii) Coulomb explosion [6,13,28]. On the other hand, molecular dications can be formed in a metastable state having a lifetime shorter than 1 s, as discussed in the next section.…”
Fundamental properties of multiply charged molecular ions, such as energetics, structure, stability, lifetime and fragmentation dynamics, are relevant to understand and model the behavior of gaseous plasmas as well as ionosphere and astrophysical environments. Experimental determinations of the Kinetic Energy Released (KER) for ions originating from dissociations reactions, induced by Coulomb explosion of doubly charged molecular ions (molecular dications) produced by double photoionization of CO 2 , N 2 O and C 2 H 2 molecules of interest in planetary atmospheres, are reported. The KER measurement as a function of the ultraviolet (UV) photon energy in the range of 28-65 eV was extracted from the electron-ion-ion coincidence spectra obtained by using tunable synchrotron radiation coupled with ion imaging techniques at the ELETTRA Synchrotron Light Laboratory Trieste, Italy. These experiments, coupled with a computational analysis based on a Monte Carlo trajectory simulation, allow assessing the probability of escape for simple ionic species in the upper atmosphere of Mars, Venus and Titan. The measured KER in the case of H + , C + , CH + , CH 2 + , N + , O + , CO + , N 2 + and NO + fragment ions range between 1.0 and 5.5 eV, being large enough to allow these ionic species to participate in the atmospheric escape from such planets into space. In the case of Mars, we suggest a possible explanation for the observed behavior of the O + and CO 2 2+ ion density profiles.
In this paper, we propose a new alternative analytical function aiming to better describe the potential energy curves of the doubly charged diatomic molecules. To achieve this goal, we modified an existing potential function in the literature to describe dicationic diatomic molecules using the deformed exponential function. We generated the potential energy curve of the testing group of dicationic diatomic molecules [Formula: see text], BH, [Formula: see text] and NH by means of the CCSD(T)/aug-cc-pVQZ level of theory. To validate this new function, we also calculated the spectroscopic constants and the rovibrational spectra for the electronic state [Formula: see text]of the [Formula: see text] and [Formula: see text] systems using the Dunham and discrete variable representation methods. For BH and NH molecules, despite exhibiting a local minimum in the potential energy curve, no vibrational levels are supported, so the spectroscopic constants for these poorly bound systems are invalidated. The fitting accuracy had a better performance over the original potential for describing dicationic diatomic systems, considering that the discrete variable representation method resulted in a similar vibrational structure described in the literature. This fact can be explained due to the deformed function's flexibility.
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