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Comment on "Calibration of ⁵⁷Fe Mössbauer constants by first principles" Phys. Chem. Chem. Phys., 2016, 18, 10201–10206
Physical Chemistry Chemical Physics
  • Fernande Grandjean, Missouri University of Science and Technology
  • Gary J. Long, Missouri University of Science and Technology
Abstract

The proportionality constant, α, between the observed isomer shifts and the calculated electron probability density at the iron nucleus has been reevaluated in terms of the correct experimental isomer shifts relative to α-iron and their corresponding accuracy, which should be considered in the linear regression fit yielding α. The iron-57 excited state nuclear quadrupole moment, Q, is not a "relative" value and its widely accepted experimental value is 0.16(1) × 10-28 m2 as also confirmed by nuclear model calculations.

Department(s)
Chemistry
Document Type
Review - Article
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 2016 Royal Society of Chemistry, All rights reserved.
Publication Date
5-1-2016
Publication Date
01 May 2016
Disciplines
Citation Information
Fernande Grandjean and Gary J. Long. "Comment on "Calibration of ⁵⁷Fe Mössbauer constants by first principles" Phys. Chem. Chem. Phys., 2016, 18, 10201–10206" Physical Chemistry Chemical Physics Vol. 18 Iss. 37 (2016) p. 26306 - 26309 ISSN: 1463-9076
Available at: http://works.bepress.com/gary-long/134/