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A theoretical investigation of the feasibility of Tannor-Rice type control: Application to selective bond breakage in gas-phase dihalomethanes. / Shu, Chuan-Cun; Rozgonyi, Tamas; Gonzalez, Leticia; Henriksen, Niels Engholm.

In: Journal of Chemical Physics, Vol. 136, No. 17, 2012, p. 174303.

Publication: Research - peer-reviewJournal article – Annual report year: 2012

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Shu, Chuan-Cun; Rozgonyi, Tamas; Gonzalez, Leticia; Henriksen, Niels Engholm / A theoretical investigation of the feasibility of Tannor-Rice type control: Application to selective bond breakage in gas-phase dihalomethanes.

In: Journal of Chemical Physics, Vol. 136, No. 17, 2012, p. 174303.

Publication: Research - peer-reviewJournal article – Annual report year: 2012

Bibtex

@article{86f4295837a145d58bfeaa7e08c15585,
title = "A theoretical investigation of the feasibility of Tannor-Rice type control: Application to selective bond breakage in gas-phase dihalomethanes",
publisher = "American Institute of Physics",
author = "Chuan-Cun Shu and Tamas Rozgonyi and Leticia Gonzalez and Henriksen, {Niels Engholm}",
year = "2012",
doi = "10.1063/1.4706603",
volume = "136",
number = "17",
pages = "174303",
journal = "Journal of Chemical Physics",
issn = "0021-9606",

}

RIS

TY - JOUR

T1 - A theoretical investigation of the feasibility of Tannor-Rice type control: Application to selective bond breakage in gas-phase dihalomethanes

A1 - Shu,Chuan-Cun

A1 - Rozgonyi,Tamas

A1 - Gonzalez,Leticia

A1 - Henriksen,Niels Engholm

AU - Shu,Chuan-Cun

AU - Rozgonyi,Tamas

AU - Gonzalez,Leticia

AU - Henriksen,Niels Engholm

PB - American Institute of Physics

PY - 2012

Y1 - 2012

N2 - <p>Within the math absorption band of CH<sub>2</sub>BrCl, we theoretically analyze the laser-induced control of the Br/Cl branching ratio, Br + CH<sub>2</sub>Cl ← CH<sub>2</sub>BrCl → CH<sub>2</sub>Br + Cl, with CH<sub>2</sub>BrCl initially in its vibrational ground state. For weak-field excitation, the Br/Cl branching ratio increases as a function of wavelength, however, for wavelengths below 180 nm the branching ratio cannot be made smaller than 0.4. Using optimal control theory, we show that the branching ratio can be made significantly less than 0.4, only when very strong fields are employed. Thus, the present work strongly suggests that a Tannor-Rice type laser control mechanism for selective bond breakage in CH<sub>2</sub>BrCl cannot take place without accompanying photoionization.</p>

AB - <p>Within the math absorption band of CH<sub>2</sub>BrCl, we theoretically analyze the laser-induced control of the Br/Cl branching ratio, Br + CH<sub>2</sub>Cl ← CH<sub>2</sub>BrCl → CH<sub>2</sub>Br + Cl, with CH<sub>2</sub>BrCl initially in its vibrational ground state. For weak-field excitation, the Br/Cl branching ratio increases as a function of wavelength, however, for wavelengths below 180 nm the branching ratio cannot be made smaller than 0.4. Using optimal control theory, we show that the branching ratio can be made significantly less than 0.4, only when very strong fields are employed. Thus, the present work strongly suggests that a Tannor-Rice type laser control mechanism for selective bond breakage in CH<sub>2</sub>BrCl cannot take place without accompanying photoionization.</p>

KW - PHYSICS,

KW - QUANTUM-OPTIMAL-CONTROL

KW - WAVE-PACKET

KW - LASER-PULSE

KW - PHOTODISSOCIATION DYNAMICS

KW - EXPECTATION VALUE

KW - CH2BRCL

KW - SYSTEMS

KW - NM

KW - FRAGMENTATION

KW - IONIZATION

UR - http://jcp.aip.org.globalproxy.cvt.dk/resource/1/jcpsa6/v136/i17/p174303_s1

U2 - 10.1063/1.4706603

DO - 10.1063/1.4706603

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 17

VL - 136

SP - 174303

ER -