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Title: L-edge sum rule analysis on 3d transition metal sites: from d10 to d0 and towards application to extremely dilute metallo-enzymes

Abstract

According to L-edge sum rules, the number of 3d vacancies at a transition metal site is directly proportional to the integrated intensity of the L-edge X-ray absorption spectrum (XAS) for the corresponding metal complex.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [5]; ORCiD logo [6]; ORCiD logo [7]
  1. Univ. of California, Davis, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  3. Univ. of Hyogo, Tatsuno (Japan)
  4. Univ. of California, Davis, CA (United States)
  5. Univ. of Illinois, Urbana, IL (United States)
  6. Argonne National Lab. (ANL), Argonne, IL (United States)
  7. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Biological and Environmental Research (BER)
OSTI Identifier:
1434331
Alternate Identifier(s):
OSTI ID: 1465312
Report Number(s):
LLNL-JRNL-746682
Journal ID: ISSN 1463-9076; PPCPFQ; 142189; TRN: US1802684
Grant/Contract Number:  
AC02-06CH11357; AC52-07NA27344
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Volume: 20; Journal Issue: 12; 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

Wang, Hongxin, Friedrich, Stephan, Li, Lei, Mao, Ziliang, Ge, Pinghua, Balasubramanian, Mahalingam, and Patil, Daulat S. L-edge sum rule analysis on 3d transition metal sites: from d10 to d0 and towards application to extremely dilute metallo-enzymes. United States: N. p., 2018. Web. doi:10.1039/c7cp06624d.
Wang, Hongxin, Friedrich, Stephan, Li, Lei, Mao, Ziliang, Ge, Pinghua, Balasubramanian, Mahalingam, & Patil, Daulat S. L-edge sum rule analysis on 3d transition metal sites: from d10 to d0 and towards application to extremely dilute metallo-enzymes. United States. https://doi.org/10.1039/c7cp06624d
Wang, Hongxin, Friedrich, Stephan, Li, Lei, Mao, Ziliang, Ge, Pinghua, Balasubramanian, Mahalingam, and Patil, Daulat S. 2018. "L-edge sum rule analysis on 3d transition metal sites: from d10 to d0 and towards application to extremely dilute metallo-enzymes". United States. https://doi.org/10.1039/c7cp06624d. https://www.osti.gov/servlets/purl/1434331.
@article{osti_1434331,
title = {L-edge sum rule analysis on 3d transition metal sites: from d10 to d0 and towards application to extremely dilute metallo-enzymes},
author = {Wang, Hongxin and Friedrich, Stephan and Li, Lei and Mao, Ziliang and Ge, Pinghua and Balasubramanian, Mahalingam and Patil, Daulat S.},
abstractNote = {According to L-edge sum rules, the number of 3d vacancies at a transition metal site is directly proportional to the integrated intensity of the L-edge X-ray absorption spectrum (XAS) for the corresponding metal complex.},
doi = {10.1039/c7cp06624d},
url = {https://www.osti.gov/biblio/1434331}, journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
issn = {1463-9076},
number = 12,
volume = 20,
place = {United States},
year = {Tue Feb 13 00:00:00 EST 2018},
month = {Tue Feb 13 00:00:00 EST 2018}
}

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

Citation Metrics:
Cited by: 13 works
Citation information provided by
Web of Science

Figures / Tables:

Table 1. Table 1.: The integrated and normalized L intensities (IL), edge jumps (J), L intensity derived number of 3d holes (H3d) and their corresponding errors (δα and δH3d) for a series of Ni and Mn complexes with different ligand types.

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