Solvation dynamics of model photocatalyst

Atomistic characterization of the active-site solvation dynamics of a model photocatalyst

The interactions between the reactive excited state of molecular photocatalysts and surrounding solvent dictate reaction mechanisms and pathways, but are not readily accessible to conventional optical spectroscopic techniques. Here we report an investigation of the structural and solvation dynamics following excitation of a model photocatalytic molecular system [Ir2(dimen)4]2+, where dimen is para-diisocyanomenthane.

Our results provide evidence for the coordination of the iridium atoms by the acetonitrile solvent and demonstrate the viability of using diffuse X-ray scattering at free-electron laser sources for studying the dynamics of photocatalysis.

Tim B. van Driel, Kasper S. Kjær, Robert W. Hartsock, Asmus O. Dohn, Tobias Harlang, Matthieu Chollet, Morten Christensen, Wojciech Gawelda, Niels E. Henriksen, Jong Goo Kim, Kristoffer Haldrup, Kyung Hwan Kim, Hyotcherl Ihee, Jeongho Kim, Henrik Lemke, Zheng Sun, Villy Sundström, Wenkai Zhang, Diling Zhu, Klaus B. Møller, Martin M. Nielsen & Kelly J. Gaffney

Nature Communications 7, Article number: 13678 (2016)


Martin Meedom Nielsen
DTU Physics
+45 45 25 32 26


Kristoffer Haldrup
Senior Researcher
DTU Physics
+45 22 98 37 20