
About
Our goal is to understand and manipulate coupled electronic and atomic displacements that drive chemistry in the ground and electronic excited states of molecules and materials.
Research topics
- Physics
- Optics
- Atomic physics
- Molecular physics
- Chemistry
- Crystallography
- Photochemistry
- Chemical physics
- Materials science
- Nuclear physics
- Physical chemistry
Selected publications
Chemical Science · 2021 · 36 citations
- Atomic physics
- Chemistry
- Molecular physics
Ru-complexes are widely studied because of their use in biological applications and photoconversion technologies. We reveal novel insights into the chemical bonding of a series of Ru(ii)- and Ru(iii)-complexes by leveraging recent advances in high-energy-resolution tender X-ray spectroscopy and theoretical calculations. We perform Ru 2p4d resonant inelastic X-ray scattering (RIXS) to probe the valence excitations in dilute solvated Ru-complexes. Combining these experiments with a newly developed theoretical approach based on time-dependent density functional theory, we assign the spectral features and quantify the metal-ligand bonding interactions. The valence-to-core RIXS features uniquely identify the metal-centered and charge transfer states and allow extracting the ligand-field splitting for all the complexes. The combined experimental and theoretical approach described here is shown to reliably characterize the ground and excited valence states of Ru complexes, and serve as a basis for future investigations of ruthenium, or other 4d metals active sites, in biological and chemical applications.
Nature Chemistry · 2021 · 104 citations
Senior authorCorresponding- Chemistry
- Chemical physics
- Atomic physics
Recent grants
NSF · $452k · 2019–2023
NSF · $658k · 2009–2014
NSF · $485k · 2016–2020
Frequent coauthors
- 64 shared
R. W. Schoenlein
SLAC National Accelerator Laboratory
- 55 shared
Niranjan Govind
Pacific Northwest National Laboratory
- 33 shared
Andrei Tokmakoff
University of Chicago
- 28 shared
N. Demirdöven
- 22 shared
James D. Gaynor
University of California, Berkeley
- 21 shared
Yu Zhang
Ames National Laboratory
- 19 shared
Benjamin E. Van Kuiken
European X-Ray Free-Electron Laser
- 17 shared
Elisa Biasin
Pacific Northwest National Laboratory
Labs
Awards & honors
- Dreyfus New Faculty Award (2007)
- Packard Fellowship in Science and Engineering (2008)
- CAREER Award from the National Science Foundation (2009)
- Sloan Research Fellowship (2012)
- Camille-Dreyfus Teacher-Scholar Award (2013)
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