Laser assisted control of selective bond dissociation in HOD–some mechanistic insights

Sarma, Manabendra; Adhikari, Satrajit; Mishra, Manoj K.

doi:10.1080/00268970802708934

Cited by 3 publications

(1 citation statement)

References 53 publications

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“…36 Indeed, these predictions were based on semiclassical TDWP calculations employing δfunction type pulses. Since even a moderately intense IR pulse distributes population in combination of excited vibrational states not in pure O-H/O-D overtone, 27,39 theoretical calculations employing those vibrationally excited states as the initial state to pump the probability density to the upper repulsive surface by UV pulse for selective bond dissociation may not be experimentally realizable. The state selective vibrational excitation 12-15 mechanism for model OH and HOD system has been proposed using analytical and numerical pulse shapes under the framework of optimal control theory (OCT) as well, but in all those calculations, the target vibrational states are much higher.…”

Section: Introductionmentioning

confidence: 99%

Selective bond breaking mediated by state specific vibrational excitation in model HOD molecule through optimized femtosecond IR pulse: A simulated annealing based approach

Shandilya

Sen

Sahoo

et al. 2013

The Journal of Chemical Physics

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The selective control of O-H/O-D bond dissociation in reduced dimensionality model of HOD molecule has been explored through IR+UV femtosecond pulses. The IR pulse has been optimized using simulated annealing stochastic approach to maximize population of a desired low quanta vibrational state. Since those vibrational wavefunctions of the ground electronic states are preferentially localized either along the O-H or O-D mode, the femtosecond UV pulse is used only to transfer vibrationally excited molecule to the repulsive upper surface to cleave specific bond, O-H or O-D. While transferring from the ground electronic state to the repulsive one, the optimization of the UV pulse is not necessarily required except specific case. The results so obtained are analyzed with respect to time integrated flux along with contours of time evolution of probability density on excited potential energy surface. After preferential excitation from [line]0, 0> ([line]m, n> stands for the state having m and n quanta of excitations in O-H and O-D mode, respectively) vibrational level of the ground electronic state to its specific low quanta vibrational state ([line]1, 0> or [line]0, 1> or [line]2, 0> or [line]0, 2>) by using optimized IR pulse, the dissociation of O-D or O-H bond through the excited potential energy surface by UV laser pulse appears quite high namely, 88% (O-H ; [line]1, 0>) or 58% (O-D ; [line]0, 1>) or 85% (O-H ; [line]2, 0>) or 59% (O-D ; [line]0, 2>). Such selectivity of the bond breaking by UV pulse (if required, optimized) together with optimized IR one is encouraging compared to the normal pulses.

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Section: Introductionmentioning

confidence: 99%

Selective bond breaking mediated by state specific vibrational excitation in model HOD molecule through optimized femtosecond IR pulse: A simulated annealing based approach

Shandilya

Sen

Sahoo

et al. 2013

The Journal of Chemical Physics

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Enhancing the branching ratios in the dissociation channels for O16O16O18 molecule by designing optimum laser pulses: A study using stochastic optimization

Talukder

Sen²,

Shandilya

et al. 2015

The Journal of Chemical Physics

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We propose a strategy of using a stochastic optimization technique, namely, simulated annealing to design optimum laser pulses (both IR and UV) to achieve greater fluxes along the two dissociating channels (O(18) + O(16)O(16) and O(16) + O(16)O(18)) in O(16)O(16)O(18) molecule. We show that the integrated fluxes obtained along the targeted dissociating channel is larger with the optimized pulse than with the unoptimized one. The flux ratios are also more impressive with the optimized pulse than with the unoptimized one. We also look at the evolution contours of the wavefunctions along the two channels with time after the actions of both the IR and UV pulses and compare the profiles for unoptimized (initial) and optimized fields for better understanding the results that we achieve. We also report the pulse parameters obtained as well as the final shapes they take.

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Selective bond dissociation of HOD molecule by optimally designed polychromatic IR+UV pulse: a genetic-algorithm-based study

2017

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Laser assisted control of selective bond dissociation in HOD–some mechanistic insights

Cited by 3 publications

References 53 publications

Selective bond breaking mediated by state specific vibrational excitation in model HOD molecule through optimized femtosecond IR pulse: A simulated annealing based approach

Selective bond breaking mediated by state specific vibrational excitation in model HOD molecule through optimized femtosecond IR pulse: A simulated annealing based approach

Enhancing the branching ratios in the dissociation channels for O16O16O18 molecule by designing optimum laser pulses: A study using stochastic optimization

Selective bond dissociation of HOD molecule by optimally designed polychromatic IR+UV pulse: a genetic-algorithm-based study

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