Probing Spin-Vibronic Dynamics Using Femtosecond X-ray Spectroscopy

Penfold, T. J. and Pápai, Mátyás Imre and Rozgonyi, Tamás and Moller, K. B. and Vankó, György (2016) Probing Spin-Vibronic Dynamics Using Femtosecond X-ray Spectroscopy. FARADAY DISCUSSIONS, 2016 (194). pp. 731-746. ISSN 1359-6640

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Abstract

Ultrafast pump-probe spectroscopy within the X-ray regime is now possible owing to the devel- opment of X-ray Free Electrons Lasers (X-FELs) and are opening new opportunities for direct probing the correlated evolution of the nuclei, the electronic and spin degrees of freedom on the femtosecond timescale. In this contribution we use excited state 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) spectra. We show how the evolution of the nuclear wavepacket is translated into the experimental observable and the sensitivity of these approaches for following excited state dynamics.

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