Manipulation of molecular vibrational motions via pure rotational excitations

Research output: Chapter in Book/Report/Conference proceedingArticle in proceedingsResearchpeer-review

Abstract

The coupling between different molecular degrees of freedom plays a decisive role in many quantum phenomena, including electron transfer and energy redistribution. Here, we demonstrate a quantum-mechanical time-dependent simulation to explore how a vibrational motion in a molecule can be affected via the rotation-vibration coupling. Our simulations show that a slow (compared to the vibrational period) rotational excitation leads to a smooth increase in the bond length whereas a fast rotational excitation leads to a non-stationary vibrational motion.
Original languageEnglish
Title of host publicationProceedings of the 5th Australian Control Conference (AUCC 2015)
Number of pages3
PublisherIEEE
Publication date2015
Pages108-110
ISBN (Print)978-1-9221-0770-1
Publication statusPublished - 2015
EventThe 5th Australian Control Conference - Gold Coast, Australia
Duration: 5 Nov 20156 Nov 2015
Conference number: 5
http://www.aucc.org.au/AUCC2015/

Conference

ConferenceThe 5th Australian Control Conference
Number5
CountryAustralia
CityGold Coast
Period05/11/201506/11/2015
Internet address

Cite this

Shu, C-C., & Henriksen, N. E. (2015). Manipulation of molecular vibrational motions via pure rotational excitations. In Proceedings of the 5th Australian Control Conference (AUCC 2015) (pp. 108-110). IEEE.
Shu, Chuan-Cun ; Henriksen, Niels Engholm. / Manipulation of molecular vibrational motions via pure rotational excitations. Proceedings of the 5th Australian Control Conference (AUCC 2015). IEEE, 2015. pp. 108-110
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abstract = "The coupling between different molecular degrees of freedom plays a decisive role in many quantum phenomena, including electron transfer and energy redistribution. Here, we demonstrate a quantum-mechanical time-dependent simulation to explore how a vibrational motion in a molecule can be affected via the rotation-vibration coupling. Our simulations show that a slow (compared to the vibrational period) rotational excitation leads to a smooth increase in the bond length whereas a fast rotational excitation leads to a non-stationary vibrational motion.",
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Shu, C-C & Henriksen, NE 2015, Manipulation of molecular vibrational motions via pure rotational excitations. in Proceedings of the 5th Australian Control Conference (AUCC 2015). IEEE, pp. 108-110, The 5th Australian Control Conference, Gold Coast, Australia, 05/11/2015.

Manipulation of molecular vibrational motions via pure rotational excitations. / Shu, Chuan-Cun; Henriksen, Niels Engholm.

Proceedings of the 5th Australian Control Conference (AUCC 2015). IEEE, 2015. p. 108-110.

Research output: Chapter in Book/Report/Conference proceedingArticle in proceedingsResearchpeer-review

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T1 - Manipulation of molecular vibrational motions via pure rotational excitations

AU - Shu, Chuan-Cun

AU - Henriksen, Niels Engholm

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N2 - The coupling between different molecular degrees of freedom plays a decisive role in many quantum phenomena, including electron transfer and energy redistribution. Here, we demonstrate a quantum-mechanical time-dependent simulation to explore how a vibrational motion in a molecule can be affected via the rotation-vibration coupling. Our simulations show that a slow (compared to the vibrational period) rotational excitation leads to a smooth increase in the bond length whereas a fast rotational excitation leads to a non-stationary vibrational motion.

AB - The coupling between different molecular degrees of freedom plays a decisive role in many quantum phenomena, including electron transfer and energy redistribution. Here, we demonstrate a quantum-mechanical time-dependent simulation to explore how a vibrational motion in a molecule can be affected via the rotation-vibration coupling. Our simulations show that a slow (compared to the vibrational period) rotational excitation leads to a smooth increase in the bond length whereas a fast rotational excitation leads to a non-stationary vibrational motion.

M3 - Article in proceedings

SN - 978-1-9221-0770-1

SP - 108

EP - 110

BT - Proceedings of the 5th Australian Control Conference (AUCC 2015)

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Shu C-C, Henriksen NE. Manipulation of molecular vibrational motions via pure rotational excitations. In Proceedings of the 5th Australian Control Conference (AUCC 2015). IEEE. 2015. p. 108-110