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Issue 37, 2016
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Comment on “Calibration of 57Fe Mössbauer constants by first principles” Phys. Chem. Chem. Phys., 2016, 18, 10201–10206

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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.

Graphical abstract: Comment on “Calibration of 57Fe Mössbauer constants by first principles” Phys. Chem. Chem. Phys., 2016, 18, 10201–10206

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Article information


Submitted
02 May 2016
Accepted
07 Sep 2016
First published
07 Sep 2016

Phys. Chem. Chem. Phys., 2016,18, 26306-26309
Article type
Comment

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

F. Grandjean and G. J. Long, Phys. Chem. Chem. Phys., 2016, 18, 26306
DOI: 10.1039/C6CP02950G

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