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Probing Spin-Vibronic Dynamics Using Femtosecond X-ray Spectroscopy

Lookup NU author(s): Professor Thomas Penfold



This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License (CC BY-NC 4.0).


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.

Publication metadata

Author(s): Penfold T, Pápai M, Rozgonyi T, Møller K, Vankó G

Publication type: Article

Publication status: Published

Journal: Faraday Discussions

Year: 2016

Volume: 194

Pages: 731-746

Print publication date: 01/12/2016

Online publication date: 17/05/2016

Acceptance date: 17/05/2016

Date deposited: 17/05/2016

ISSN (print): 1359-6640

ISSN (electronic): 1364-5498

Publisher: Royal Society of Chemistry


DOI: 10.1039/C6FD00070C


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Funder referenceFunder name
609405European Union under REA
ERC-StG-259709European Research Council
K29724Hungarian Scientific Research Fund (OTKA)
LP2013-59'Lendulet' (Momentum) Program of the Hungarian Academy of Sciences
RPG-2016-103Leverhulme trust