Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics

Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics

Myoglobin bound to carbon monoxide undergoes an ultrafast light-induced reaction, which ends up in a photolyzed carbon monoxide and a spin transition of the iron center. Here, the authors employ quantum wavepacket dynamics to show that photolysis precedes the spin transition, a mechanism dominated b...

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Main Authors: Konstantin Falahati, Hiroyuki Tamura, Irene Burghardt, Miquel Huix-Rotllant
Format: Article
Language:English
Published: Nature Publishing Group 2018-10-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-018-06615-1
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spelling doaj-ded3079869fb4ffcb489799f6b572ef12021-05-11T09:57:30ZengNature Publishing GroupNature Communications2041-17232018-10-01911810.1038/s41467-018-06615-1Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamicsKonstantin Falahati0Hiroyuki Tamura1Irene Burghardt2Miquel Huix-Rotllant3Institute of Physical and Theoretical Chemistry, Goethe University FrankfurtDepartment of Chemical System Engineering, The University of TokyoInstitute of Physical and Theoretical Chemistry, Goethe University FrankfurtInstitute of Physical and Theoretical Chemistry, Goethe University FrankfurtMyoglobin bound to carbon monoxide undergoes an ultrafast light-induced reaction, which ends up in a photolyzed carbon monoxide and a spin transition of the iron center. Here, the authors employ quantum wavepacket dynamics to show that photolysis precedes the spin transition, a mechanism dominated by strong electron-nuclear couplings.https://doi.org/10.1038/s41467-018-06615-1
collection DOAJ
language English
format Article
sources DOAJ
author Konstantin Falahati
Hiroyuki Tamura
Irene Burghardt
Miquel Huix-Rotllant
spellingShingle Konstantin Falahati
Hiroyuki Tamura
Irene Burghardt
Miquel Huix-Rotllant
Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics
Nature Communications
author_facet Konstantin Falahati
Hiroyuki Tamura
Irene Burghardt
Miquel Huix-Rotllant
author_sort Konstantin Falahati
title Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics
title_short Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics
title_full Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics
title_fullStr Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics
title_full_unstemmed Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics
title_sort ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics
publisher Nature Publishing Group
series Nature Communications
issn 2041-1723
publishDate 2018-10-01
description Myoglobin bound to carbon monoxide undergoes an ultrafast light-induced reaction, which ends up in a photolyzed carbon monoxide and a spin transition of the iron center. Here, the authors employ quantum wavepacket dynamics to show that photolysis precedes the spin transition, a mechanism dominated by strong electron-nuclear couplings.
url https://doi.org/10.1038/s41467-018-06615-1
work_keys_str_mv AT konstantinfalahati ultrafastcarbonmonoxidephotolysisandhemespincrossoverinmyoglobinvianonadiabaticquantumdynamics
AT hiroyukitamura ultrafastcarbonmonoxidephotolysisandhemespincrossoverinmyoglobinvianonadiabaticquantumdynamics
AT ireneburghardt ultrafastcarbonmonoxidephotolysisandhemespincrossoverinmyoglobinvianonadiabaticquantumdynamics
AT miquelhuixrotllant ultrafastcarbonmonoxidephotolysisandhemespincrossoverinmyoglobinvianonadiabaticquantumdynamics
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