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Title: The electronic structure of f-element Prussian blue analogs determined by soft X-ray absorption spectroscopy

Abstract

In molecular solids derived from Prussian blue, intermetallic charge transfer is fostered through a cyano bridge two metal ions. In this paper, isostructural trivalent lanthanide and tetravalent actinide Prussian blue analogs' valence orbitals are probed by soft X-ray absorption measurements.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2];  [2];  [3]; ORCiD logo [4]
  1. CEA, Bagnols-sur-Ceze (France)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  3. Synchrotron SOLEILL'Orme des Merisiers, Gif-sur-Yvette Cedex (France)
  4. CEA, Bagnols-sur-Ceze (France); Univ. Cote d'Azur, Nice (France)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division
OSTI Identifier:
1503653
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
ChemComm
Additional Journal Information:
Journal Volume: 54; Journal Issue: 86; Journal ID: ISSN 1359-7345
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Dumas, Thomas, Guillaumont, Dominique, Moisy, Philippe, Shuh, David K., Tyliszczak, Tolek, Solari, Pier Lorenzo, and Den Auwer, Christophe. The electronic structure of f-element Prussian blue analogs determined by soft X-ray absorption spectroscopy. United States: N. p., 2018. Web. doi:10.1039/c8cc05176c.
Dumas, Thomas, Guillaumont, Dominique, Moisy, Philippe, Shuh, David K., Tyliszczak, Tolek, Solari, Pier Lorenzo, & Den Auwer, Christophe. The electronic structure of f-element Prussian blue analogs determined by soft X-ray absorption spectroscopy. United States. doi:10.1039/c8cc05176c.
Dumas, Thomas, Guillaumont, Dominique, Moisy, Philippe, Shuh, David K., Tyliszczak, Tolek, Solari, Pier Lorenzo, and Den Auwer, Christophe. Tue . "The electronic structure of f-element Prussian blue analogs determined by soft X-ray absorption spectroscopy". United States. doi:10.1039/c8cc05176c. https://www.osti.gov/servlets/purl/1503653.
@article{osti_1503653,
title = {The electronic structure of f-element Prussian blue analogs determined by soft X-ray absorption spectroscopy},
author = {Dumas, Thomas and Guillaumont, Dominique and Moisy, Philippe and Shuh, David K. and Tyliszczak, Tolek and Solari, Pier Lorenzo and Den Auwer, Christophe},
abstractNote = {In molecular solids derived from Prussian blue, intermetallic charge transfer is fostered through a cyano bridge two metal ions. In this paper, isostructural trivalent lanthanide and tetravalent actinide Prussian blue analogs' valence orbitals are probed by soft X-ray absorption measurements.},
doi = {10.1039/c8cc05176c},
journal = {ChemComm},
number = 86,
volume = 54,
place = {United States},
year = {2018},
month = {9}
}

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Works referenced in this record:

Characterization of Chemical Bonds in Bimetallic Cyanides Using X-ray Absorption Spectroscopy at L 2,3 Edges
journal, January 1996

  • Arrio, M. -A.; Sainctavit, Ph.; Cartier dit Moulin, Ch.
  • Journal of the American Chemical Society, Vol. 118, Issue 27
  • DOI: 10.1021/ja9542698

Local Structure in Americium and Californium Hexacyanoferrates - Comparison with Their Lanthanide Analogues
journal, February 2011

  • Dupouy, Gaelle; Bonhoure, Isabelle; Conradson, Steven D.
  • European Journal of Inorganic Chemistry, Vol. 2011, Issue 10
  • DOI: 10.1002/ejic.201001004

Photoinduced Ferrimagnetic Systems in Prussian Blue Analogues C I x Co 4 [Fe(CN) 6 ] y (C I = Alkali Cation). 2. X-ray Absorption Spectroscopy of the Metastable State
journal, July 2000

  • Cartier dit Moulin, Christophe; Villain, Françoise; Bleuzen, Anne
  • Journal of the American Chemical Society, Vol. 122, Issue 28
  • DOI: 10.1021/ja000349m

The deuterium enrichment of individual amino acids in carbonaceous meteorites: A case for the presolar distribution of biomolecule precursors
journal, February 2005


The crystal structure of LaKFe(CN) 6 .4H 2 O
journal, May 1978

  • Beall, G. W.; Mullica, D. F.; Milligan, W. O.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 34, Issue 5
  • DOI: 10.1107/S0567740878005877

Soft X-ray scanning transmission X-ray microscopy (STXM) of actinide particles
journal, July 2005

  • Nilsson, Hans J.; Tyliszczak, Tolek; Wilson, Richard E.
  • Analytical and Bioanalytical Chemistry, Vol. 383, Issue 1
  • DOI: 10.1007/s00216-005-3355-5

Multi-edge X-ray absorption spectroscopy of thorium, neptunium and plutonium hexacyanoferrate compounds
journal, January 2013

  • Dumas, Thomas; Charbonnel, Marie Christine; Charushnikova, Iraida A.
  • New Journal of Chemistry, Vol. 37, Issue 10
  • DOI: 10.1039/c3nj00318c

The structural analysis of NdKFe(CN)6·4H2O
journal, January 1982


Quantitative Evidence for Lanthanide-Oxygen Orbital Mixing in CeO 2 , PrO 2 , and TbO 2
journal, November 2017

  • Minasian, Stefan G.; Batista, Enrique R.; Booth, Corwin H.
  • Journal of the American Chemical Society, Vol. 139, Issue 49
  • DOI: 10.1021/jacs.7b10361

X-ray diffraction investigations and spectral analyses of monoclinic SmKFe(CN)6 · 3H2O
journal, February 1989


The nature of chemical bonding in actinide and lanthanide ferrocyanides determined by X-ray absorption spectroscopy and density functional theory
journal, January 2016

  • Dumas, Thomas; Guillaumont, Dominique; Fillaux, Clara
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 4
  • DOI: 10.1039/C5CP05820A

New evidence for 5f covalency in actinocenes determined from carbon K-edge XAS and electronic structure theory
journal, January 2014

  • Minasian, Stefan G.; Keith, Jason M.; Batista, Enrique R.
  • Chem. Sci., Vol. 5, Issue 1
  • DOI: 10.1039/C3SC52030G

Refined structure of CeKFe(CN)6·4H2O
journal, January 1979

  • Mullica, D. F.; Milligan, W. O.; Oliver, J. D.
  • Inorganic and Nuclear Chemistry Letters, Vol. 15, Issue 1
  • DOI: 10.1016/0020-1650(79)80117-8

The Color and Electronic Configurations of Prussian Blue
journal, May 1962


Three-dimensional hierarchical Prussian blue composed of ultrathin nanosheets: enhanced hetero-catalytic and adsorption properties
journal, January 2015

  • Bu, Fan-Xing; Hu, Ming; Zhang, Wei
  • Chemical Communications, Vol. 51, Issue 99
  • DOI: 10.1039/C5CC06281K

Quantification of f-element covalency through analysis of the electron density: insights from simulation
journal, January 2017


On the Lanthanide Ferrocyanides KLnFe(II)(CN)6·xH2O (Ln=La–Lu): Characterization and Thermal Evolution
journal, August 2002

  • Goubard, Fabrice; Tabuteau, Alain
  • Journal of Solid State Chemistry, Vol. 167, Issue 1
  • DOI: 10.1006/jssc.2002.9612

Mn II -containing coordination nanoparticles as highly efficient T 1 contrast agents for magnetic resonance imaging
journal, January 2014

  • Paul, Gabriella; Prado, Yoann; Dia, Nada
  • Chem. Commun., Vol. 50, Issue 51
  • DOI: 10.1039/C4CC01251H

Fe L-Edge XAS Studies of K 4 [Fe(CN) 6 ] and K 3 [Fe(CN) 6 ]:  A Direct Probe of Back-Bonding
journal, August 2006

  • Hocking, Rosalie K.; Wasinger, Erik C.; de Groot, Frank M. F.
  • Journal of the American Chemical Society, Vol. 128, Issue 32
  • DOI: 10.1021/ja061802i

Structure of monoclinic ErFe(CN) 6 .4H 2 O
journal, February 1989

  • Mullica, D. F.; Perkins, H. O.; Sappenfield, E. L.
  • Acta Crystallographica Section C Crystal Structure Communications, Vol. 45, Issue 2
  • DOI: 10.1107/S0108270188011667

Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl 6 x ( x = 3, 2)
journal, February 2015

  • Löble, Matthias W.; Keith, Jason M.; Altman, Alison B.
  • Journal of the American Chemical Society, Vol. 137, Issue 7
  • DOI: 10.1021/ja510067v

A sodium manganese ferrocyanide thin film for Na-ion batteries
journal, January 2013

  • Matsuda, Tomoyuki; Takachi, Masamitsu; Moritomo, Yutaka
  • Chemical Communications, Vol. 49, Issue 27
  • DOI: 10.1039/c3cc38839e

Trends in Covalency for d- and f-Element Metallocene Dichlorides Identified Using Chlorine K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory
journal, September 2009

  • Kozimor, Stosh A.; Yang, Ping; Batista, Enrique R.
  • Journal of the American Chemical Society, Vol. 131, Issue 34
  • DOI: 10.1021/ja9015759