Capturing photochemical and photophysical transformations in iron complexes with ultrafast X-ray spectroscopy and scattering

KJ Gaffney - Chemical Science, 2021 - pubs.rsc.org
Light-driven chemical transformations provide a compelling approach to understanding
chemical reactivity with the potential to use this understanding to advance solar energy and …

NHC-based iron sensitizers for DSSCs

T Duchanois, L Liu, M Pastore, A Monari, C Cebrián… - Inorganics, 2018 - mdpi.com
Nanostructured dye-sensitized solar cells (DSSCs) are promising photovoltaic devices
because of their low cost and transparency. Ruthenium polypyridine complexes have long …

Pyrene-Decoration of a Chromium(0) Tris(diisocyanide) Enhances Excited State Delocalization: A Strategy to Improve the Photoluminescence of 3d6 Metal …

C Wegeberg, D Häussinger… - Journal of the American …, 2021 - ACS Publications
There is a long-standing interest in iron (II) complexes that emit from metal-to-ligand charge
transfer (MLCT) excited states, analogous to ruthenium (II) polypyridines. The 3d6 electrons …

KiMoPack: A python Package for Kinetic Modeling of the Chemical Mechanism

C Müller, T Pascher, A Eriksson… - The Journal of …, 2022 - ACS Publications
Herein, we present KiMoPack, an analysis tool for the ki netic mo deling of transient
spectroscopic data. KiMoPack enables a state-of-the-art analysis routine including data …

Nanosecond Metal-to-Ligand Charge-Transfer State in an Fe (II) Chromophore: Lifetime Enhancement via Nested Potentials

JT Malme, RA Clendening, R Ash, T Curry… - Journal of the …, 2023 - ACS Publications
Examples of Fe complexes with long-lived (≥ 1 ns) charge-transfer states are limited to
pseudo-octahedral geometries with strong σ-donor chelates. Alternative strategies based on …

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

K Kunnus, M Vacher, TCB Harlang, KS Kjær… - Nature …, 2020 - nature.com
The non-equilibrium dynamics of electrons and nuclei govern the function of photoactive
materials. Disentangling these dynamics remains a critical goal for understanding …

Photostable ruthenium (II) isocyanoborato luminophores and their use in energy transfer and photoredox catalysis

L Schmid, C Kerzig, A Prescimone, OS Wenger - JACS Au, 2021 - ACS Publications
Ruthenium (II) polypyridine complexes are among the most popular sensitizers in
photocatalysis, but they face some severe limitations concerning accessible excited-state …

Resolving femtosecond solvent reorganization dynamics in an iron complex by nonadiabatic dynamics simulations

DB Zederkof, KB Møller, MM Nielsen… - Journal of the …, 2022 - ACS Publications
The ultrafast dynamical response of solute–solvent interactions plays a key role in transition
metal complexes, where charge transfer states are ubiquitous. Nonetheless, there exist very …

Multifaceted Deactivation Dynamics of Fe(II) N-Heterocyclic Carbene Photosensitizers

L Lindh, T Pascher, S Persson, Y Goriya… - The Journal of …, 2023 - ACS Publications
Excited state dynamics of three iron (II) carbene complexes that serve as prototype Earth-
abundant photosensitizers were investigated by ultrafast optical spectroscopy. Significant …

Ultrafast Spectroscopy of Fe (II) Complexes Designed for Solar‐Energy Conversion: Current Status and Open Questions

C Cebrián, M Pastore, A Monari, X Assfeld… - …, 2022 - Wiley Online Library
One major challenge of future sustainable photochemistry is to replace precious and rare
transition metals in applications such as energy conversion or electroluminescence by earth …