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Laser Physics Letters

The isotope effect on the photoassociation of X + F → XF (X = H, D)

Pinrui Shen, Yong‐Chang Han, Jing-Lun Li, Kaiyang Yi, Chaojun Chen, Shu‐Lin Cong

Published Mar 3, 2015• 7 citations
Publisher

Abstract

The photoassociation (PA) reactions of H + F → HF and D + F → DF are investigated by using the time-dependent quantum wave packet method. For each system, we consider four cases, where the target state is set to be ∣ ν = 16, 17, 18, 19〉, respectively. The effects of the initial collision momentum and laser parameters, including intensity, pulse duration, and frequency, on the final association probability are calculated and discussed. It is found that the PA probability for H + F → HF (∣ ν = 16, 17, 18〉) is significantly greater than that for D + F → DF (∣ ν = 16, 17, 18〉), while the PA probability to ∣ ν = 19〉 for the latter system is greater than the former one. This isotope effect has been connected with the Franck–Condon overlap integral between the target vibrational state and the collision continuum state.

DOI
10.1088/1612-2011/12/4/045302

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The photoassociation (PA) reactions of H + F → HF and D + F → DF are investigated by using the time-dependent quantum wave packet method. For each system, we consider four cases, where the target state is set to be ∣ ν = 16, 17, 18, 19〉, respectively. The effects of the initial collision momentum and laser parameters, including intensity, pulse duration, and frequency, on the final association probability are calculated and discussed. It is found that the PA probability for H + F → HF (∣ ν = 16, 17, 18〉) is significantly greater than that for D + F → DF (∣ ν = 16, 17, 18〉), while the PA probability to ∣ ν = 19〉 for the latter system is greater than the former one. This isotope effect has been connected with the Franck–Condon overlap integral between the target vibrational state and the collision continuum state.
This work explores the vibrational state-selective photoassociation (PA) in the ground state of the HX (X = F, Cl, I) molecule by solving the time-dependent Schrödinger equation. For the three systems, the vibrational level of [Formula: see text] is set to be the target state and the PA probability of the target state is calculated and compared by considering different initial collision momentums. It is found that the PA probabilities are in accordance with Franck–Condon overlap integral for the HI and HCl systems, but it is not the case for the HF system. Moreover, for the HF system, it is shown that the PA probability of the target state is largest and the multiphoton transition is more likely to occur.
The laser-induced vibrational state-selectivity of product HF in photoassociation reaction H+F→HF is theoretically investigated by using the time-dependent quantum wave packet method. The population transfer process from the continuum state down to the bound vibrational states can be controlled by the driving laser. The effects of laser pulse parameters and the initial momentum of the two collision atoms on the vibrational population of the product HF are discussed in detail. Photodissociation accompanied with the photoassociation process is also described.
Abstract Using the time‐dependent quantum wave packet method, the photoassociation (PA) processes of He + H +→ HeH+ and He + D +→ HeD+, driven by the sin2‐shaped femtosecond laser pulse in the electronic ground state, including multiphoton transitions and dissociations, are investigated for a wide range of initial collision momenta spanning from 1 to 4 a.u. (or for the collision energy roughly in the ranges of 0.009∼0.148 eV and 0.006∼0.089 eV for HeH+ and HeD+ systems, respectively). It is found that, at some collision momenta, multiphoton transitions to deeply bound states are inevitable to occur and can greatly decrease the PA probability of the target state that selected is the vibrational state v = 6. For the dissociation process, the higher‐order (two‐ and three‐photon) dissociations, measured from the target state, tend to be significant at relative high collision energies, which implies that above‐threshold dissociations may also be an important loss mechanism in the PA process. In addition, it is also shown that the higher‐order dissociation is much stronger for HeH+ systems than that for HeD+ systems at a given collision momentum, and could be enhanced by the strong transitions among deeply bound states.
Abstract Using the quantum wave-packet method, we investigated the photoassociation (PA) processes of H + + He → HeH + in the ground electronic state (X 1 Σ g + ). Two cases are considered where the target vibrational state selected is v = 4 and 8, respectively. It is found (for the first time) that above-threshold dissociation (ATD) occurs alongside the PA process (PA-ATD). ATD dissociation can be the major loss mechanism for the PA process. Compared with the direct dissociation from a given vibrational state and continuum–continuum transitions to the same final energy, the overall PA-ATD process is enhanced in comparison to individual contributions due to correlations. The one-photon dissociation from the target vibrational state, the ATD signals from two-photon dissociation and the higher-order (three- and four-photon) dissociations are the results of different mechanisms.
The selective control of photoassociation of Yb2 is investigated in theory. Based on ab initio to rationalize Franck–Condon filtering, the optimal target states of photoassociation have been obtained. The corresponding vibrational transitions from X1Σ+g to the excited state (A1Σu+, B1Πu, C1Σu+, and D1Πu) are v ′ = 23, 50, 55, and 0, respectively. By using quantum wave packet dynamic methods, we calculated the yields with time evaluation for the selected target states. The projections of time-dependent wave functions of initial states on the target vibrational eigenstates reflected the synthetic yields of Yb2. For target A1Σu+, we used Gaussian pulse to make the yield of v ′ = 23 up to 97% at 725 fs. After a laser pulse, the positive chirp promoted the yield of vibrational states to increase, but the negative chirp inhibited its decrease. For the D1Πu state, when laser intensity is 1.0 × 1014 W/cm2, the purity and yield of target state v ′ = 0 reached the maximum at 1350 fs. That is to say, changing the laser parameters and pulse shapes could control the photochemical reaction along our desired direction. These conditions will provide an important reference and suggest a scheme for a feasible photoassociation of further experimental and theoretical research studies. Current study may promote an important step toward the realization of highly accurate quantum manipulation and material synthesis.
Using the method of quantum-defect theory, we calculate the ultra-long-range molecular vibrational states near the dissociation threshold of a diatomic molecular potential which asymptotically varies as $\ensuremath{-}{1/R}^{3}.$ The properties of these states are of considerable interest as they can be formed by photoassociation (PA) of two ground-state atoms. The Franck-Condon overlap integrals between the harmonically trapped atom-pair states and the ultra-long-range molecular vibrational states are estimated and compared with their values for a pair of untrapped free atoms in the low-energy scattering state. We find that the binding between a pair of ground-state atoms by a harmonic trap has significant effect on the Franck-Condon integrals and thus can be used to influence PA. Trap-induced binding between two ground-state atoms may facilitate coherent PA dynamics between the two atoms and the photoassociated diatomic molecule.