Excited-state structural conformations of Fe-amido photosensitizers revealed by picosecond X-ray absorption spectroscopy

Maxime Sauvan; Asterios Charisiadis; Lucia Velasco; Ana Martinez; Issiah B. Lozada; Xiaoyi Zhang; David E. Herbert; Dooshaye Moonshiram

doi:10.1039/D5CC05315C

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Excited-state structural conformations of Fe-amido photosensitizers revealed by picosecond X-ray absorption spectroscopy

Maxime Sauvan,

^a Asterios Charisiadis,

^a Lucia Velasco,

^ab Ana Martinez,^a Issiah B. Lozada,

^c Xiaoyi Zhang,^d David E. Herbert

*^c and Dooshaye Moonshiram

*^a

Author affiliations

* Corresponding authors

^a Instituto de Ciencia de Materiales de Madrid Consejo Superior de Investigaciones Cientificas Sor Juana Ines de la Cruz, 3, Madrid 28049, Spain
E-mail: dooshaye.moonshiram@csic.es

^b Departamento de Quımica Fısica, Universidad Complutense de Madrid, Avenida Complutense s/n, Madrid, Spain

^c Department of Chemistry, University of Manitoba, Winnipeg, Manitoba, Canada
E-mail: david.herbert@umanitoba.ca

^d X-ray Science Division, Argonne National Laboratory, 9700 S. Cass Avenue, Lemont IL, USA

Abstract

Ultrafast X-ray spectroscopy and modelling were used to characterize distortions in the photo-generated quintet state of Fe sensitizers bearing hybrid N-heterocycle/amido ligands. Photoexcitation induces a 0.10–0.35 Å Fe–N elongation that is smaller for d(Fe–N_amido) compared to d(Fe-N_heterocycle), suggesting that the partial expansion of the Fe–N bonds involving the N-heterocyclic ligands is critical to the rapid population of ligand-field states.

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DOI: https://doi.org/10.1039/D5CC05315C
Article type: Communication
Submitted: 15 Sep 2025
Accepted: 04 Nov 2025
First published: 04 Nov 2025
This article is Open Access

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Chem. Commun., 2026, Advance Article

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Excited-state structural conformations of Fe-amido photosensitizers revealed by picosecond X-ray absorption spectroscopy

M. Sauvan, A. Charisiadis, L. Velasco, A. Martinez, I. B. Lozada, X. Zhang, D. E. Herbert and D. Moonshiram, Chem. Commun., 2026, Advance Article , DOI: 10.1039/D5CC05315C

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Excited-state structural conformations of Fe-amido photosensitizers revealed by picosecond X-ray absorption spectroscopy

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Excited-state structural conformations of Fe-amido photosensitizers revealed by picosecond X-ray absorption spectroscopy

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