Toward Detection of the Molecular Parity Violation in Chiral Ru(acac)(3) and Os(acac)(3)

[Image: see text] We present a theory-experiment investigation of the helically chiral compounds Ru(acac)(3) and Os(acac)(3) as candidates for next-generation experiments for detection of molecular parity violation (PV) in vibrational spectra. We used relativistic density functional theory calculati...

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Autores principales: Fiechter, Marit R., Haase, Pi A. B., Saleh, Nidal, Soulard, Pascale, Tremblay, Benoît, Havenith, Remco W. A., Timmermans, Rob G. E., Schwerdtfeger, Peter, Crassous, Jeanne, Darquié, Benoît, Pašteka, Lukáš F., Borschevsky, Anastasia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9620138/
https://www.ncbi.nlm.nih.gov/pubmed/36264147
http://dx.doi.org/10.1021/acs.jpclett.2c02434
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author Fiechter, Marit R.
Haase, Pi A. B.
Saleh, Nidal
Soulard, Pascale
Tremblay, Benoît
Havenith, Remco W. A.
Timmermans, Rob G. E.
Schwerdtfeger, Peter
Crassous, Jeanne
Darquié, Benoît
Pašteka, Lukáš F.
Borschevsky, Anastasia
author_facet Fiechter, Marit R.
Haase, Pi A. B.
Saleh, Nidal
Soulard, Pascale
Tremblay, Benoît
Havenith, Remco W. A.
Timmermans, Rob G. E.
Schwerdtfeger, Peter
Crassous, Jeanne
Darquié, Benoît
Pašteka, Lukáš F.
Borschevsky, Anastasia
author_sort Fiechter, Marit R.
collection PubMed
description [Image: see text] We present a theory-experiment investigation of the helically chiral compounds Ru(acac)(3) and Os(acac)(3) as candidates for next-generation experiments for detection of molecular parity violation (PV) in vibrational spectra. We used relativistic density functional theory calculations to identify optimal vibrational modes with expected PV effects exceeding by up to 2 orders of magnitude the projected instrumental sensitivity of the ultrahigh resolution experiment under construction at the Laboratoire de Physique des Lasers in Paris. Preliminary measurements of the vibrational spectrum of Ru(acac)(3) carried out as the first steps toward the planned experiment are presented.
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spelling pubmed-96201382022-11-01 Toward Detection of the Molecular Parity Violation in Chiral Ru(acac)(3) and Os(acac)(3) Fiechter, Marit R. Haase, Pi A. B. Saleh, Nidal Soulard, Pascale Tremblay, Benoît Havenith, Remco W. A. Timmermans, Rob G. E. Schwerdtfeger, Peter Crassous, Jeanne Darquié, Benoît Pašteka, Lukáš F. Borschevsky, Anastasia J Phys Chem Lett [Image: see text] We present a theory-experiment investigation of the helically chiral compounds Ru(acac)(3) and Os(acac)(3) as candidates for next-generation experiments for detection of molecular parity violation (PV) in vibrational spectra. We used relativistic density functional theory calculations to identify optimal vibrational modes with expected PV effects exceeding by up to 2 orders of magnitude the projected instrumental sensitivity of the ultrahigh resolution experiment under construction at the Laboratoire de Physique des Lasers in Paris. Preliminary measurements of the vibrational spectrum of Ru(acac)(3) carried out as the first steps toward the planned experiment are presented. American Chemical Society 2022-10-20 2022-10-27 /pmc/articles/PMC9620138/ /pubmed/36264147 http://dx.doi.org/10.1021/acs.jpclett.2c02434 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Fiechter, Marit R.
Haase, Pi A. B.
Saleh, Nidal
Soulard, Pascale
Tremblay, Benoît
Havenith, Remco W. A.
Timmermans, Rob G. E.
Schwerdtfeger, Peter
Crassous, Jeanne
Darquié, Benoît
Pašteka, Lukáš F.
Borschevsky, Anastasia
Toward Detection of the Molecular Parity Violation in Chiral Ru(acac)(3) and Os(acac)(3)
title Toward Detection of the Molecular Parity Violation in Chiral Ru(acac)(3) and Os(acac)(3)
title_full Toward Detection of the Molecular Parity Violation in Chiral Ru(acac)(3) and Os(acac)(3)
title_fullStr Toward Detection of the Molecular Parity Violation in Chiral Ru(acac)(3) and Os(acac)(3)
title_full_unstemmed Toward Detection of the Molecular Parity Violation in Chiral Ru(acac)(3) and Os(acac)(3)
title_short Toward Detection of the Molecular Parity Violation in Chiral Ru(acac)(3) and Os(acac)(3)
title_sort toward detection of the molecular parity violation in chiral ru(acac)(3) and os(acac)(3)
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9620138/
https://www.ncbi.nlm.nih.gov/pubmed/36264147
http://dx.doi.org/10.1021/acs.jpclett.2c02434
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