skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: The nature of chemical bonding in actinide and lanthanide ferrocyanides determined by X-ray absorption spectroscopy and density functional theory

Abstract

Multi-edge soft X-ray absorption spectroscopy is used to probe orbital mixing in actinide and lanthanide Prussian blue analogs.

Authors:
 [1];  [1];  [1];  [2];  [1];  [1];  [3];  [3];  [4]
  1. CEA, Bagnols-sur-Ceze (France)
  2. Helmholtz Zentrum Dresden-Rossendorf, Dresden (Germany)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  4. CEA, Bagnols-sur-Ceze (France); Univ. of Nice Sophia Antipolis, Nice (France)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
SC-22.1 USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division
OSTI Identifier:
1436132
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print); Journal Volume: 18; Journal Issue: 4; Related Information: © the Owner Societies 2016.; Journal ID: ISSN 1463-9076
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, Fillaux, Clara, Scheinost, Andreas, Moisy, Philippe, Petit, Sebastien, Shuh, David K., Tyliszczak, Tolek, and Auwer, Christophe Den. The nature of chemical bonding in actinide and lanthanide ferrocyanides determined by X-ray absorption spectroscopy and density functional theory. United States: N. p., 2015. Web. doi:10.1039/c5cp05820a.
Dumas, Thomas, Guillaumont, Dominique, Fillaux, Clara, Scheinost, Andreas, Moisy, Philippe, Petit, Sebastien, Shuh, David K., Tyliszczak, Tolek, & Auwer, Christophe Den. The nature of chemical bonding in actinide and lanthanide ferrocyanides determined by X-ray absorption spectroscopy and density functional theory. United States. doi:10.1039/c5cp05820a.
Dumas, Thomas, Guillaumont, Dominique, Fillaux, Clara, Scheinost, Andreas, Moisy, Philippe, Petit, Sebastien, Shuh, David K., Tyliszczak, Tolek, and Auwer, Christophe Den. Wed . "The nature of chemical bonding in actinide and lanthanide ferrocyanides determined by X-ray absorption spectroscopy and density functional theory". United States. doi:10.1039/c5cp05820a. https://www.osti.gov/servlets/purl/1436132.
@article{osti_1436132,
title = {The nature of chemical bonding in actinide and lanthanide ferrocyanides determined by X-ray absorption spectroscopy and density functional theory},
author = {Dumas, Thomas and Guillaumont, Dominique and Fillaux, Clara and Scheinost, Andreas and Moisy, Philippe and Petit, Sebastien and Shuh, David K. and Tyliszczak, Tolek and Auwer, Christophe Den},
abstractNote = {Multi-edge soft X-ray absorption spectroscopy is used to probe orbital mixing in actinide and lanthanide Prussian blue analogs.},
doi = {10.1039/c5cp05820a},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 4,
volume = 18,
place = {United States},
year = {Wed Dec 16 00:00:00 EST 2015},
month = {Wed Dec 16 00:00:00 EST 2015}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 5 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Chemistry with ADF
journal, January 2001

  • te Velde, G.; Bickelhaupt, F. M.; Baerends, E. J.
  • Journal of Computational Chemistry, Vol. 22, Issue 9, p. 931-967
  • DOI: 10.1002/jcc.1056

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