Comment on "Calibration of ⁵⁷Fe Mössbauer constants by first principles" Phys. Chem. Chem. Phys., 2016, 18, 10201–10206

Author

Fernande Grandjean, Missouri University of Science and TechnologyFollow
Gary J. Long, Missouri University of Science and TechnologyFollow

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.

Recommended Citation

F. Grandjean and G. 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, no. 37, pp. 26306 - 26309, Royal Society of Chemistry, May 2016.

The definitive version is available at https://doi.org/10.1039/c6cp02950g

Department(s)

Chemistry

International Standard Serial Number (ISSN)

1463-9076

Document Type

Review - Article

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2016 Royal Society of Chemistry, All rights reserved.

Publication Date

01 May 2016