Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering

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Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering. / Kunnus, Kristjan; Vacher, Morgane; Harlang, Tobias C B; Kjær, Kasper S; Haldrup, Kristoffer; Biasin, Elisa; van Driel, Tim B; Pápai, Mátyás; Chabera, Pavel; Liu, Yizhu; Tatsuno, Hideyuki; Timm, Cornelia; Källman, Erik; Delcey, Mickaël; Hartsock, Robert W; Reinhard, Marco E; Koroidov, Sergey; Laursen, Mads G; Hansen, Frederik B; Vester, Peter; Christensen, Morten; Sandberg, Lise; Németh, Zoltán; Szemes, Dorottya Sárosiné; Bajnóczi, Éva; Alonso-Mori, Roberto; Glownia, James M; Nelson, Silke; Sikorski, Marcin; Sokaras, Dimosthenis; Lemke, Henrik T; Canton, Sophie E; Møller, Klaus B; Nielsen, Martin M; Vankó, György; Wärnmark, Kenneth; Sundström, Villy; Persson, Petter; Lundberg, Marcus; Uhlig, Jens; Gaffney, Kelly J.

In: Nature Communications, Vol. 11, No. 1, 634, 31.01.2020.

Research output: Contribution to journalJournal articleResearchpeer-review

Harvard

Kunnus, K, Vacher, M, Harlang, TCB, Kjær, KS, Haldrup, K, Biasin, E, van Driel, TB, Pápai, M, Chabera, P, Liu, Y, Tatsuno, H, Timm, C, Källman, E, Delcey, M, Hartsock, RW, Reinhard, ME, Koroidov, S, Laursen, MG, Hansen, FB, Vester, P, Christensen, M, Sandberg, L, Németh, Z, Szemes, DS, Bajnóczi, É, Alonso-Mori, R, Glownia, JM, Nelson, S, Sikorski, M, Sokaras, D, Lemke, HT, Canton, SE, Møller, KB, Nielsen, MM, Vankó, G, Wärnmark, K, Sundström, V, Persson, P, Lundberg, M, Uhlig, J & Gaffney, KJ 2020, 'Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering', Nature Communications, vol. 11, no. 1, 634. https://doi.org/10.1038/s41467-020-14468-w

APA

Kunnus, K., Vacher, M., Harlang, T. C. B., Kjær, K. S., Haldrup, K., Biasin, E., ... Gaffney, K. J. (2020). Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering. Nature Communications, 11(1), [634]. https://doi.org/10.1038/s41467-020-14468-w

Vancouver

Kunnus K, Vacher M, Harlang TCB, Kjær KS, Haldrup K, Biasin E et al. Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering. Nature Communications. 2020 Jan 31;11(1). 634. https://doi.org/10.1038/s41467-020-14468-w

Author

Kunnus, Kristjan ; Vacher, Morgane ; Harlang, Tobias C B ; Kjær, Kasper S ; Haldrup, Kristoffer ; Biasin, Elisa ; van Driel, Tim B ; Pápai, Mátyás ; Chabera, Pavel ; Liu, Yizhu ; Tatsuno, Hideyuki ; Timm, Cornelia ; Källman, Erik ; Delcey, Mickaël ; Hartsock, Robert W ; Reinhard, Marco E ; Koroidov, Sergey ; Laursen, Mads G ; Hansen, Frederik B ; Vester, Peter ; Christensen, Morten ; Sandberg, Lise ; Németh, Zoltán ; Szemes, Dorottya Sárosiné ; Bajnóczi, Éva ; Alonso-Mori, Roberto ; Glownia, James M ; Nelson, Silke ; Sikorski, Marcin ; Sokaras, Dimosthenis ; Lemke, Henrik T ; Canton, Sophie E ; Møller, Klaus B ; Nielsen, Martin M ; Vankó, György ; Wärnmark, Kenneth ; Sundström, Villy ; Persson, Petter ; Lundberg, Marcus ; Uhlig, Jens ; Gaffney, Kelly J. / Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering. In: Nature Communications. 2020 ; Vol. 11, No. 1.

Bibtex

@article{988afe9985d545ad8488f9594d3f0baf,
title = "Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering",
abstract = "The non-equilibrium dynamics of electrons and nuclei govern the function of photoactive materials. Disentangling these dynamics remains a critical goal for understanding photoactive materials. Here we investigate the photoinduced dynamics of the [Fe(bmip)2]2+ photosensitizer, where bmip = 2,6-bis(3-methyl-imidazole-1-ylidine)-pyridine, with simultaneous femtosecond-resolution Fe Kα and Kβ X-ray emission spectroscopy (XES) and X-ray solution scattering (XSS). This measurement shows temporal oscillations in the XES and XSS difference signals with the same 278 fs period oscillation. These oscillations originate from an Fe-ligand stretching vibrational wavepacket on a triplet metal-centered (3MC) excited state surface. This 3MC state is populated with a 110 fs time constant by 40{\%} of the excited molecules while the rest relax to a 3MLCT excited state. The sensitivity of the Kα XES to molecular structure results from a 0.7{\%} average Fe-ligand bond length shift between the 1 s and 2p core-ionized states surfaces.",
author = "Kristjan Kunnus and Morgane Vacher and Harlang, {Tobias C B} and Kj{\ae}r, {Kasper S} and Kristoffer Haldrup and Elisa Biasin and {van Driel}, {Tim B} and M{\'a}ty{\'a}s P{\'a}pai and Pavel Chabera and Yizhu Liu and Hideyuki Tatsuno and Cornelia Timm and Erik K{\"a}llman and Micka{\"e}l Delcey and Hartsock, {Robert W} and Reinhard, {Marco E} and Sergey Koroidov and Laursen, {Mads G} and Hansen, {Frederik B} and Peter Vester and Morten Christensen and Lise Sandberg and Zolt{\'a}n N{\'e}meth and Szemes, {Dorottya S{\'a}rosin{\'e}} and {\'E}va Bajn{\'o}czi and Roberto Alonso-Mori and Glownia, {James M} and Silke Nelson and Marcin Sikorski and Dimosthenis Sokaras and Lemke, {Henrik T} and Canton, {Sophie E} and M{\o}ller, {Klaus B} and Nielsen, {Martin M} and Gy{\"o}rgy Vank{\'o} and Kenneth W{\"a}rnmark and Villy Sundstr{\"o}m and Petter Persson and Marcus Lundberg and Jens Uhlig and Gaffney, {Kelly J}",
year = "2020",
month = "1",
day = "31",
doi = "10.1038/s41467-020-14468-w",
language = "English",
volume = "11",
journal = "Nature Communications",
issn = "2041-1723",
publisher = "nature publishing group",
number = "1",

}

RIS

TY - JOUR

T1 - Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering

AU - Kunnus, Kristjan

AU - Vacher, Morgane

AU - Harlang, Tobias C B

AU - Kjær, Kasper S

AU - Haldrup, Kristoffer

AU - Biasin, Elisa

AU - van Driel, Tim B

AU - Pápai, Mátyás

AU - Chabera, Pavel

AU - Liu, Yizhu

AU - Tatsuno, Hideyuki

AU - Timm, Cornelia

AU - Källman, Erik

AU - Delcey, Mickaël

AU - Hartsock, Robert W

AU - Reinhard, Marco E

AU - Koroidov, Sergey

AU - Laursen, Mads G

AU - Hansen, Frederik B

AU - Vester, Peter

AU - Christensen, Morten

AU - Sandberg, Lise

AU - Németh, Zoltán

AU - Szemes, Dorottya Sárosiné

AU - Bajnóczi, Éva

AU - Alonso-Mori, Roberto

AU - Glownia, James M

AU - Nelson, Silke

AU - Sikorski, Marcin

AU - Sokaras, Dimosthenis

AU - Lemke, Henrik T

AU - Canton, Sophie E

AU - Møller, Klaus B

AU - Nielsen, Martin M

AU - Vankó, György

AU - Wärnmark, Kenneth

AU - Sundström, Villy

AU - Persson, Petter

AU - Lundberg, Marcus

AU - Uhlig, Jens

AU - Gaffney, Kelly J

PY - 2020/1/31

Y1 - 2020/1/31

N2 - The non-equilibrium dynamics of electrons and nuclei govern the function of photoactive materials. Disentangling these dynamics remains a critical goal for understanding photoactive materials. Here we investigate the photoinduced dynamics of the [Fe(bmip)2]2+ photosensitizer, where bmip = 2,6-bis(3-methyl-imidazole-1-ylidine)-pyridine, with simultaneous femtosecond-resolution Fe Kα and Kβ X-ray emission spectroscopy (XES) and X-ray solution scattering (XSS). This measurement shows temporal oscillations in the XES and XSS difference signals with the same 278 fs period oscillation. These oscillations originate from an Fe-ligand stretching vibrational wavepacket on a triplet metal-centered (3MC) excited state surface. This 3MC state is populated with a 110 fs time constant by 40% of the excited molecules while the rest relax to a 3MLCT excited state. The sensitivity of the Kα XES to molecular structure results from a 0.7% average Fe-ligand bond length shift between the 1 s and 2p core-ionized states surfaces.

AB - The non-equilibrium dynamics of electrons and nuclei govern the function of photoactive materials. Disentangling these dynamics remains a critical goal for understanding photoactive materials. Here we investigate the photoinduced dynamics of the [Fe(bmip)2]2+ photosensitizer, where bmip = 2,6-bis(3-methyl-imidazole-1-ylidine)-pyridine, with simultaneous femtosecond-resolution Fe Kα and Kβ X-ray emission spectroscopy (XES) and X-ray solution scattering (XSS). This measurement shows temporal oscillations in the XES and XSS difference signals with the same 278 fs period oscillation. These oscillations originate from an Fe-ligand stretching vibrational wavepacket on a triplet metal-centered (3MC) excited state surface. This 3MC state is populated with a 110 fs time constant by 40% of the excited molecules while the rest relax to a 3MLCT excited state. The sensitivity of the Kα XES to molecular structure results from a 0.7% average Fe-ligand bond length shift between the 1 s and 2p core-ionized states surfaces.

U2 - 10.1038/s41467-020-14468-w

DO - 10.1038/s41467-020-14468-w

M3 - Journal article

C2 - 32005815

VL - 11

JO - Nature Communications

JF - Nature Communications

SN - 2041-1723

IS - 1

M1 - 634

ER -

ID: 243197672