Probing spin-vibronic dynamics using femtosecond X-ray spectroscopy

T. J. Penfold; Mátyás Imre Pápai; T. Rozgonyi; Klaus Braagaard Møller; G. Vankó

doi:10.1039/C6FD00070C

Probing spin-vibronic dynamics using femtosecond X-ray spectroscopy

T. J. Penfold, Mátyás Imre Pápai, T. Rozgonyi, Klaus Braagaard Møller, G. Vankó

Department of Chemistry

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Abstract

Ultrafast pump-probe spectroscopy within the X-ray regime is now possible owing to the development of X-ray Free Electrons Lasers (X-FELs) and is opening new opportunities for the direct probing of femtosecond evolution of the nuclei, the electronic and spin degrees of freedom. In this contribution we use wavepacket dynamics of the photoexcited decay of a new Fe(ii) complex, [Fe(bmip)₂]²⁺ (bmip = 2,6-bis(3-methyl-imidazole-1-ylidine)pyridine), to simulate the experimental observables associated with femtosecond Fe K-edge X-ray Absorption Near-Edge Structure (XANES) and X-ray emission (XES) spectroscopy. We show how the evolution of the nuclear wavepacket is translated into the spectroscopic signal and the sensitivity of these approaches for following excited state dynamics.

Original language	English
Journal	Faraday Discussions
Volume	194
Pages (from-to)	731-746
Number of pages	16
ISSN	1359-6640
DOIs	https://doi.org/10.1039/C6FD00070C
Publication status	Published - 2016

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COFUNDPostdocDTU: COFUNDPostdocDTU
Præstrud, M. R. (Project Participant) & Brodersen, S. W. (Project Participant)
01/01/2014 → 31/12/2019
Project: Research

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title = "Probing spin-vibronic dynamics using femtosecond X-ray spectroscopy",

abstract = "Ultrafast pump-probe spectroscopy within the X-ray regime is now possible owing to the development of X-ray Free Electrons Lasers (X-FELs) and is opening new opportunities for the direct probing of femtosecond evolution of the nuclei, the electronic and spin degrees of freedom. In this contribution we use wavepacket dynamics of the photoexcited decay of a new Fe(ii) complex, [Fe(bmip)2]2+ (bmip = 2,6-bis(3-methyl-imidazole-1-ylidine)pyridine), to simulate the experimental observables associated with femtosecond Fe K-edge X-ray Absorption Near-Edge Structure (XANES) and X-ray emission (XES) spectroscopy. We show how the evolution of the nuclear wavepacket is translated into the spectroscopic signal and the sensitivity of these approaches for following excited state dynamics.",

author = "Penfold, {T. J.} and P{\'a}pai, {M{\'a}ty{\'a}s Imre} and T. Rozgonyi and M{\o}ller, {Klaus Braagaard} and G. Vank{\'o}",

year = "2016",

doi = "10.1039/C6FD00070C",

language = "English",

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pages = "731--746",

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T1 - Probing spin-vibronic dynamics using femtosecond X-ray spectroscopy

AU - Penfold, T. J.

AU - Pápai, Mátyás Imre

AU - Rozgonyi, T.

AU - Møller, Klaus Braagaard

AU - Vankó, G.

PY - 2016

Y1 - 2016

N2 - Ultrafast pump-probe spectroscopy within the X-ray regime is now possible owing to the development of X-ray Free Electrons Lasers (X-FELs) and is opening new opportunities for the direct probing of femtosecond evolution of the nuclei, the electronic and spin degrees of freedom. In this contribution we use wavepacket dynamics of the photoexcited decay of a new Fe(ii) complex, [Fe(bmip)2]2+ (bmip = 2,6-bis(3-methyl-imidazole-1-ylidine)pyridine), to simulate the experimental observables associated with femtosecond Fe K-edge X-ray Absorption Near-Edge Structure (XANES) and X-ray emission (XES) spectroscopy. We show how the evolution of the nuclear wavepacket is translated into the spectroscopic signal and the sensitivity of these approaches for following excited state dynamics.

AB - Ultrafast pump-probe spectroscopy within the X-ray regime is now possible owing to the development of X-ray Free Electrons Lasers (X-FELs) and is opening new opportunities for the direct probing of femtosecond evolution of the nuclei, the electronic and spin degrees of freedom. In this contribution we use wavepacket dynamics of the photoexcited decay of a new Fe(ii) complex, [Fe(bmip)2]2+ (bmip = 2,6-bis(3-methyl-imidazole-1-ylidine)pyridine), to simulate the experimental observables associated with femtosecond Fe K-edge X-ray Absorption Near-Edge Structure (XANES) and X-ray emission (XES) spectroscopy. We show how the evolution of the nuclear wavepacket is translated into the spectroscopic signal and the sensitivity of these approaches for following excited state dynamics.

U2 - 10.1039/C6FD00070C

DO - 10.1039/C6FD00070C

M3 - Journal article

SN - 1359-6640

VL - 194

SP - 731

EP - 746

JO - Faraday Discussions

JF - Faraday Discussions

ER -

Probing spin-vibronic dynamics using femtosecond X-ray spectroscopy

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