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Title: Resolving structures of transition metal complex reaction intermediates with femtosecond EXAFS

Abstract

Femtosecond EXAFS is implemented at an XFEL and can be used to observe short-lived intermediate states of photoexcited transition metal complexes in solution.

Authors:
ORCiD logo [1];  [2];  [3];  [4];  [5]; ORCiD logo [6];  [4];  [4];  [4];  [3];  [6];  [4]
  1. Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, USA, Linac Coherent Light Source
  2. Linac Coherent Light Source, SLAC National Accelerator Laboratory, Menlo Park, USA, Stanford Synchrotron Radiation Lightsource
  3. Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, USA
  4. Linac Coherent Light Source, SLAC National Accelerator Laboratory, Menlo Park, USA
  5. SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, USA
  6. Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, USA
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1558679
Alternate Identifier(s):
OSTI ID: 1546779
Grant/Contract Number:  
[AC02-76SF00515; SC0014607]
Resource Type:
Published Article
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
[Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 22 Journal Issue: 5]; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

Citation Formats

Britz, Alexander, Abraham, Baxter, Biasin, Elisa, van Driel, Tim Brandt, Gallo, Alessandro, Garcia-Esparza, Angel T., Glownia, James, Loukianov, Anton, Nelson, Silke, Reinhard, Marco, Sokaras, Dimosthenis, and Alonso-Mori, Roberto. Resolving structures of transition metal complex reaction intermediates with femtosecond EXAFS. United Kingdom: N. p., 2020. Web. doi:10.1039/C9CP03483H.
Britz, Alexander, Abraham, Baxter, Biasin, Elisa, van Driel, Tim Brandt, Gallo, Alessandro, Garcia-Esparza, Angel T., Glownia, James, Loukianov, Anton, Nelson, Silke, Reinhard, Marco, Sokaras, Dimosthenis, & Alonso-Mori, Roberto. Resolving structures of transition metal complex reaction intermediates with femtosecond EXAFS. United Kingdom. doi:10.1039/C9CP03483H.
Britz, Alexander, Abraham, Baxter, Biasin, Elisa, van Driel, Tim Brandt, Gallo, Alessandro, Garcia-Esparza, Angel T., Glownia, James, Loukianov, Anton, Nelson, Silke, Reinhard, Marco, Sokaras, Dimosthenis, and Alonso-Mori, Roberto. Wed . "Resolving structures of transition metal complex reaction intermediates with femtosecond EXAFS". United Kingdom. doi:10.1039/C9CP03483H.
@article{osti_1558679,
title = {Resolving structures of transition metal complex reaction intermediates with femtosecond EXAFS},
author = {Britz, Alexander and Abraham, Baxter and Biasin, Elisa and van Driel, Tim Brandt and Gallo, Alessandro and Garcia-Esparza, Angel T. and Glownia, James and Loukianov, Anton and Nelson, Silke and Reinhard, Marco and Sokaras, Dimosthenis and Alonso-Mori, Roberto},
abstractNote = {Femtosecond EXAFS is implemented at an XFEL and can be used to observe short-lived intermediate states of photoexcited transition metal complexes in solution.},
doi = {10.1039/C9CP03483H},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = [5],
volume = [22],
place = {United Kingdom},
year = {2020},
month = {2}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C9CP03483H

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Works referenced in this record:

Anisotropy enhanced X-ray scattering from solvated transition metal complexes
journal, February 2018

  • Biasin, Elisa; van Driel, Tim B.; Levi, Gianluca
  • Journal of Synchrotron Radiation, Vol. 25, Issue 2
  • DOI: 10.1107/S1600577517016964

Femtosecond X-ray Absorption Spectroscopy at a Hard X-ray Free Electron Laser: Application to Spin Crossover Dynamics
journal, January 2013

  • Lemke, Henrik T.; Bressler, Christian; Chen, Lin X.
  • The Journal of Physical Chemistry A, Vol. 117, Issue 4
  • DOI: 10.1021/jp312559h

ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT
journal, June 2005


Probing Cytochrome c Folding Transitions upon Phototriggered Environmental Perturbations Using Time-Resolved X-ray Scattering
journal, April 2018

  • Rimmerman, Dolev; Leshchev, Denis; Hsu, Darren J.
  • The Journal of Physical Chemistry B, Vol. 122, Issue 20
  • DOI: 10.1021/acs.jpcb.8b03354

Using Ultrafast X-ray Spectroscopy To Address Questions in Ligand-Field Theory: The Excited State Spin and Structure of [Fe(dcpp) 2 ] 2+
journal, June 2019


Ultrafast X-ray Absorption Near Edge Structure Reveals Ballistic Excited State Structural Dynamics
journal, May 2018

  • Miller, Nicholas A.; Deb, Aniruddha; Alonso-Mori, Roberto
  • The Journal of Physical Chemistry A, Vol. 122, Issue 22
  • DOI: 10.1021/acs.jpca.8b04223

Discovery and High-Throughput Screening of Heteroleptic Iridium Complexes for Photoinduced Hydrogen Production
journal, May 2005

  • Goldsmith, Jonas I.; Hudson, William R.; Lowry, Michael S.
  • Journal of the American Chemical Society, Vol. 127, Issue 20
  • DOI: 10.1021/ja0427101

XANES and EXAFS of dilute solutions of transition metals at XFELs
journal, August 2019

  • Chatterjee, Ruchira; Weninger, Clemens; Loukianov, Anton
  • Journal of Synchrotron Radiation, Vol. 26, Issue 5
  • DOI: 10.1107/S1600577519007550

Achieving few-femtosecond time-sorting at hard X-ray free-electron lasers
journal, February 2013


First lasing and operation of an ångstrom-wavelength free-electron laser
journal, August 2010


Coherent structural trapping through wave packet dispersion during photoinduced spin state switching
journal, May 2017

  • Lemke, Henrik T.; Kjær, Kasper S.; Hartsock, Robert
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms15342

Femtosecond XANES Study of the Light-Induced Spin Crossover Dynamics in an Iron(II) Complex
journal, January 2009


Observing Solvation Dynamics with Simultaneous Femtosecond X-ray Emission Spectroscopy and X-ray Scattering
journal, February 2016

  • Haldrup, Kristoffer; Gawelda, Wojciech; Abela, Rafael
  • The Journal of Physical Chemistry B, Vol. 120, Issue 6
  • DOI: 10.1021/acs.jpcb.5b12471

High-brightness table-top hard X-ray source driven by sub-100-femtosecond mid-infrared pulses
journal, November 2014


Structure of Myoglobin: A Three-Dimensional Fourier Synthesis at 2 Å. Resolution
journal, February 1960

  • Kendrew, J. C.; Dickerson, R. E.; Strandberg, B. E.
  • Nature, Vol. 185, Issue 4711
  • DOI: 10.1038/185422a0

Tracking excited-state charge and spin dynamics in iron coordination complexes
journal, May 2014

  • Zhang, Wenkai; Alonso-Mori, Roberto; Bergmann, Uwe
  • Nature, Vol. 509, Issue 7500
  • DOI: 10.1038/nature13252

Highly Accurate Excited-State Structure of [Os(bpy) 2 dcbpy] 2+ Determined by X-ray Transient Absorption Spectroscopy
journal, June 2014

  • Zhang, Xiaoyi; Canton, Sophie E.; Smolentsev, Grigory
  • Journal of the American Chemical Society, Vol. 136, Issue 24
  • DOI: 10.1021/ja5040733

Photon Beam Transport and Scientific Instruments at the European XFEL
journal, June 2017

  • Tschentscher, Thomas; Bressler, Christian; Grünert, Jan
  • Applied Sciences, Vol. 7, Issue 6
  • DOI: 10.3390/app7060592

K -edge absorption spectra of selected vanadium compounds
journal, November 1984


A multi-crystal wavelength dispersive x-ray spectrometer
journal, July 2012

  • Alonso-Mori, Roberto; Kern, Jan; Sokaras, Dimosthenis
  • Review of Scientific Instruments, Vol. 83, Issue 7
  • DOI: 10.1063/1.4737630

Metalloprotein entatic control of ligand-metal bonds quantified by ultrafast x-ray spectroscopy
journal, June 2017


The MXAN procedure: a new method for analysing the XANES spectra of metalloproteins to obtain structural quantitative information
journal, December 2002

  • Benfatto, M.; Della Longa, S.; Natoli, C. R.
  • Journal of Synchrotron Radiation, Vol. 10, Issue 1
  • DOI: 10.1107/S0909049502018137

Soft x-ray absorption spectroscopy of metalloproteins and high-valent metal-complexes at room temperature using free-electron lasers
journal, September 2017

  • Kubin, Markus; Kern, Jan; Gul, Sheraz
  • Structural Dynamics, Vol. 4, Issue 5
  • DOI: 10.1063/1.4986627

Tuning the Electronic Structure of Fe(II) Polypyridines via Donor Atom and Ligand Scaffold Modifications: A Computational Study
journal, August 2015


Ultrafast Excited State Relaxation of a Metalloporphyrin Revealed by Femtosecond X-ray Absorption Spectroscopy
journal, July 2016

  • Shelby, Megan L.; Lestrange, Patrick J.; Jackson, Nicholas E.
  • Journal of the American Chemical Society, Vol. 138, Issue 28
  • DOI: 10.1021/jacs.6b02176

A Multiplet Analysis of Fe K-Edge 1s → 3d Pre-Edge Features of Iron Complexes
journal, July 1997

  • Westre, Tami E.; Kennepohl, Pierre; DeWitt, Jane G.
  • Journal of the American Chemical Society, Vol. 119, Issue 27
  • DOI: 10.1021/ja964352a

X-ray detectors at the Linac Coherent Light Source
journal, April 2015

  • Blaj, Gabriel; Caragiulo, Pietro; Carini, Gabriella
  • Journal of Synchrotron Radiation, Vol. 22, Issue 3
  • DOI: 10.1107/S1600577515005317

Detailed Characterization of a Nanosecond-Lived Excited State: X-ray and Theoretical Investigation of the Quintet State in Photoexcited [Fe(terpy) 2 ] 2+
journal, March 2015

  • Vankó, György; Bordage, Amélie; Pápai, Mátyás
  • The Journal of Physical Chemistry C, Vol. 119, Issue 11
  • DOI: 10.1021/acs.jpcc.5b00557

Probing the Anisotropic Distortion of Photoexcited Spin Crossover Complexes with Picosecond X-ray Absorption Spectroscopy
journal, February 2014

  • Canton, Sophie E.; Zhang, Xiaoyi; Lawson Daku, Latévi M.
  • The Journal of Physical Chemistry C, Vol. 118, Issue 8
  • DOI: 10.1021/jp5003963

The X-ray Pump–Probe instrument at the Linac Coherent Light Source
journal, April 2015

  • Chollet, Matthieu; Alonso-Mori, Roberto; Cammarata, Marco
  • Journal of Synchrotron Radiation, Vol. 22, Issue 3
  • DOI: 10.1107/S1600577515005135

Design and performance of an ultra-high-vacuum-compatible artificial channel-cut monochromator
journal, December 2007

  • Narayanan, Suresh; Sandy, Alec; Shu, Deming
  • Journal of Synchrotron Radiation, Vol. 15, Issue 1
  • DOI: 10.1107/S090904950705340X

A multi-MHz single-shot data acquisition scheme with high dynamic range: pump–probe X-ray experiments at synchrotrons
journal, October 2016

  • Britz, Alexander; Assefa, Tadesse A.; Galler, Andreas
  • Journal of Synchrotron Radiation, Vol. 23, Issue 6
  • DOI: 10.1107/S1600577516012625

Observing heme doming in myoglobin with femtosecond X-ray absorption spectroscopya)
journal, May 2015

  • Levantino, M.; Lemke, H. T.; Schirò, G.
  • Structural Dynamics, Vol. 2, Issue 4
  • DOI: 10.1063/1.4921907

Polarized XANES Monitors Femtosecond Structural Evolution of Photoexcited Vitamin B 12
journal, January 2017

  • Miller, Nicholas A.; Deb, Aniruddha; Alonso-Mori, Roberto
  • Journal of the American Chemical Society, Vol. 139, Issue 5
  • DOI: 10.1021/jacs.6b11295

Potential for biomolecular imaging with femtosecond X-ray pulses
journal, August 2000

  • Neutze, Richard; Wouts, Remco; van der Spoel, David
  • Nature, Vol. 406, Issue 6797
  • DOI: 10.1038/35021099

Dynamic Jahn–Teller Effect in the Metastable High-Spin State of Solvated [Fe(terpy) 2 ] 2+
journal, January 2015

  • Zhang, X.; Lawson Daku, M. L.; Zhang, J.
  • The Journal of Physical Chemistry C, Vol. 119, Issue 6
  • DOI: 10.1021/jp5117068

Solar Energy Conversion by Dye-Sensitized Photovoltaic Cells
journal, October 2005


Theoretical approaches to x-ray absorption fine structure
journal, July 2000


Revealing hole trapping in zinc oxide nanoparticles by time-resolved X-ray spectroscopy
journal, February 2018

  • Penfold, Thomas J.; Szlachetko, Jakub; Santomauro, Fabio G.
  • Nature Communications, Vol. 9, Issue 1
  • DOI: 10.1038/s41467-018-02870-4

Femtosecond time-resolved X-ray absorption spectroscopy of anatase TiO2 nanoparticles using XFEL
journal, June 2017

  • Obara, Yuki; Ito, Hironori; Ito, Terumasa
  • Structural Dynamics, Vol. 4, Issue 4
  • DOI: 10.1063/1.4989862

Femtosecond X-Ray Scattering Study of Ultrafast Photoinduced Structural Dynamics in Solvated [ Co ( terpy ) 2 ] 2 +
journal, June 2016


Smoothing and Differentiation of Data by Simplified Least Squares Procedures.
journal, July 1964

  • Savitzky, Abraham.; Golay, M. J. E.
  • Analytical Chemistry, Vol. 36, Issue 8
  • DOI: 10.1021/ac60214a047

Architecture of the Photosynthetic Oxygen-Evolving Center
journal, March 2004