Manipulation of molecular vibrational motions via pure rotational excitations

Chuan-Cun Shu; Niels Engholm Henriksen

Manipulation of molecular vibrational motions via pure rotational excitations

Department of Chemistry

Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-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 language	English
Title of host publication	Proceedings of the 5th Australian Control Conference (AUCC 2015)
Number of pages	3
Publisher	IEEE
Publication date	2015
Pages	108-110
ISBN (Print)	978-1-9221-0770-1
Publication status	Published - 2015
Event	The 5th Australian Control Conference - Gold Coast, Australia Duration: 5 Nov 2015 → 6 Nov 2015 Conference number: 5 http://www.aucc.org.au/AUCC2015/

Conference

Conference	The 5th Australian Control Conference
Number	5
Country	Australia
City	Gold Coast
Period	05/11/2015 → 06/11/2015
Internet address	http://www.aucc.org.au/AUCC2015/

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Cite this

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title = "Manipulation of molecular vibrational motions via pure rotational excitations",

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.",

author = "Chuan-Cun Shu and Henriksen, {Niels Engholm}",

year = "2015",

language = "English",

isbn = "978-1-9221-0770-1",

pages = "108--110",

booktitle = "Proceedings of the 5th Australian Control Conference (AUCC 2015)",

publisher = "IEEE",

address = "United States",

note = "The 5th Australian Control Conference, AUCC 2015 ; Conference date: 05-11-2015 Through 06-11-2015",

url = "http://www.aucc.org.au/AUCC2015/",

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T1 - Manipulation of molecular vibrational motions via pure rotational excitations

AU - Shu, Chuan-Cun

AU - Henriksen, Niels Engholm

N1 - Conference code: 5

PY - 2015

Y1 - 2015

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)

PB - IEEE

T2 - The 5th Australian Control Conference

Y2 - 5 November 2015 through 6 November 2015

ER -