Non-resonant vibrational excitation of HOD and selective bond breaking

Diptesh Dey, Niels Engholm Henriksen*

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

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Abstract

This paper reports a time-dependent quantum mechanical wave packet study for bond-selective excitation and dissociation of HOD into the H + OD and D + OH channels in the first absorption band. Prior to excitation, the HOD molecule is randomly oriented with respect to a linearly polarized laser field and accurate static dipole moment and polarizability surfaces are included in the interaction potential. Vibrational excitation is obtained with intense, non-resonant 800 nm few-cycle excitation using dynamic Stark effect/impulsive Raman scattering. Dissociation is accomplished by another ultrashort vacuum ultraviolet-laser excitation. A laser control scheme is designed with a train of simple, non-resonant laser pulses in order to enhance the selectivity between the fragmentation channels. The effect of the carrier-envelope-phase of the ultrashort laser pulses is also investigated.
Original languageEnglish
Article number234307
JournalJournal of Chemical Physics
Volume148
Issue number23
Number of pages9
ISSN0021-9606
DOIs
Publication statusPublished - 2018

Cite this

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title = "Non-resonant vibrational excitation of HOD and selective bond breaking",
abstract = "This paper reports a time-dependent quantum mechanical wave packet study for bond-selective excitation and dissociation of HOD into the H + OD and D + OH channels in the first absorption band. Prior to excitation, the HOD molecule is randomly oriented with respect to a linearly polarized laser field and accurate static dipole moment and polarizability surfaces are included in the interaction potential. Vibrational excitation is obtained with intense, non-resonant 800 nm few-cycle excitation using dynamic Stark effect/impulsive Raman scattering. Dissociation is accomplished by another ultrashort vacuum ultraviolet-laser excitation. A laser control scheme is designed with a train of simple, non-resonant laser pulses in order to enhance the selectivity between the fragmentation channels. The effect of the carrier-envelope-phase of the ultrashort laser pulses is also investigated.",
author = "Diptesh Dey and Henriksen, {Niels Engholm}",
year = "2018",
doi = "10.1063/1.5029548",
language = "English",
volume = "148",
journal = "Journal of Chemical Physics",
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publisher = "American Institute of Physics",
number = "23",

}

Non-resonant vibrational excitation of HOD and selective bond breaking. / Dey, Diptesh; Henriksen, Niels Engholm.

In: Journal of Chemical Physics, Vol. 148, No. 23, 234307, 2018.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Non-resonant vibrational excitation of HOD and selective bond breaking

AU - Dey, Diptesh

AU - Henriksen, Niels Engholm

PY - 2018

Y1 - 2018

N2 - This paper reports a time-dependent quantum mechanical wave packet study for bond-selective excitation and dissociation of HOD into the H + OD and D + OH channels in the first absorption band. Prior to excitation, the HOD molecule is randomly oriented with respect to a linearly polarized laser field and accurate static dipole moment and polarizability surfaces are included in the interaction potential. Vibrational excitation is obtained with intense, non-resonant 800 nm few-cycle excitation using dynamic Stark effect/impulsive Raman scattering. Dissociation is accomplished by another ultrashort vacuum ultraviolet-laser excitation. A laser control scheme is designed with a train of simple, non-resonant laser pulses in order to enhance the selectivity between the fragmentation channels. The effect of the carrier-envelope-phase of the ultrashort laser pulses is also investigated.

AB - This paper reports a time-dependent quantum mechanical wave packet study for bond-selective excitation and dissociation of HOD into the H + OD and D + OH channels in the first absorption band. Prior to excitation, the HOD molecule is randomly oriented with respect to a linearly polarized laser field and accurate static dipole moment and polarizability surfaces are included in the interaction potential. Vibrational excitation is obtained with intense, non-resonant 800 nm few-cycle excitation using dynamic Stark effect/impulsive Raman scattering. Dissociation is accomplished by another ultrashort vacuum ultraviolet-laser excitation. A laser control scheme is designed with a train of simple, non-resonant laser pulses in order to enhance the selectivity between the fragmentation channels. The effect of the carrier-envelope-phase of the ultrashort laser pulses is also investigated.

U2 - 10.1063/1.5029548

DO - 10.1063/1.5029548

M3 - Journal article

VL - 148

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 23

M1 - 234307

ER -