Erratum: “Beyond chemical accuracy in the heavy p-block: The first ionization potentials and electron affinities of Ga–Kr, In–Xe, and Tl–Rn” [J. Chem. Phys. 151, 024303 (2019)]

Finney, Brian A.; Peterson, Kirk A.

doi:10.1063/1.5130197

Title: Erratum: “Beyond chemical accuracy in the heavy p-block: The first ionization potentials and electron affinities of Ga–Kr, In–Xe, and Tl–Rn” [J. Chem. Phys. 151, 024303 (2019)]

Abstract

In Ref. 1 incorrect values for the spin-orbit effects on the electron affinities (EAs) of Ga and In were used in Table IV. The KRCI values shown in Table III of Ref. 1, -0.49 and -0.94 kcal/mol for Ga and In, respectively, should have been given. Correct use of these latter values results in final FPD EAs for Ga and In of 6.97 and 8.91 kcal/mol, respectively. The incorrect FPD values were also given in the Abstract and Conclusion sections of Ref. 1. In addition, the experimental EA for In shown in the last column of Table IV was incorrect and should be 8.85 kcal/mol (the actual value being 8.8534 but only two decimal places are displayed throughout this table). A complete replacement for Table IV is given below with the corrected values given in bold font. The corrected FPD and experimental EA values for In in particular changes some of the conclusions of Ref. 1, namely when it is stated both in the abstract and the main text (Sec. III.B and Conclusions) that the experimental EA values for all of the group 13 (Ga, In, and Tl) EAs are too large. This is obviously not true for the EAmore »« less

Authors:

^[1];

^[1]

Washington State Univ., Pullman, WA (United States)

Publication Date:: Mon Oct 21 00:00:00 EDT 2019

Research Org.:: Washington State Univ., Pullman, WA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

OSTI Identifier:: 1657546

Grant/Contract Number:: SC0008501

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Chemical Physics

Additional Journal Information:: Journal Volume: 151; Journal Issue: 15; Journal ID: ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Spin-orbit interactions; Ab initio electronic structure calculations; Ions and properties

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                    Finney, Brian A., and Peterson, Kirk A. Erratum: “Beyond chemical accuracy in the heavy p-block: The first ionization potentials and electron affinities of Ga–Kr, In–Xe, and Tl–Rn” [J. Chem. Phys. 151, 024303 (2019)].  United States: N. p., 2019. 
Web.  doi:10.1063/1.5130197.

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                    Finney, Brian A., & Peterson, Kirk A. Erratum: “Beyond chemical accuracy in the heavy p-block: The first ionization potentials and electron affinities of Ga–Kr, In–Xe, and Tl–Rn” [J. Chem. Phys. 151, 024303 (2019)].  United States.  https://doi.org/10.1063/1.5130197

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                    Finney, Brian A., and Peterson, Kirk A. Mon .  
"Erratum: “Beyond chemical accuracy in the heavy p-block: The first ionization potentials and electron affinities of Ga–Kr, In–Xe, and Tl–Rn” [J. Chem. Phys. 151, 024303 (2019)]".  United States.  https://doi.org/10.1063/1.5130197.  https://www.osti.gov/servlets/purl/1657546.

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@article{osti_1657546,

  title        = {Erratum: “Beyond chemical accuracy in the heavy p-block: The first ionization potentials and electron affinities of Ga–Kr, In–Xe, and Tl–Rn” [J. Chem. Phys. 151, 024303 (2019)]},

  author       = {Finney, Brian A. and Peterson, Kirk A.},

  abstractNote = {In Ref. 1 incorrect values for the spin-orbit effects on the electron affinities (EAs) of Ga and In were used in Table IV. The KRCI values shown in Table III of Ref. 1, -0.49 and -0.94 kcal/mol for Ga and In, respectively, should have been given. Correct use of these latter values results in final FPD EAs for Ga and In of 6.97 and 8.91 kcal/mol, respectively. The incorrect FPD values were also given in the Abstract and Conclusion sections of Ref. 1. In addition, the experimental EA for In shown in the last column of Table IV was incorrect and should be 8.85 kcal/mol (the actual value being 8.8534 but only two decimal places are displayed throughout this table). A complete replacement for Table IV is given below with the corrected values given in bold font. The corrected FPD and experimental EA values for In in particular changes some of the conclusions of Ref. 1, namely when it is stated both in the abstract and the main text (Sec. III.B and Conclusions) that the experimental EA values for all of the group 13 (Ga, In, and Tl) EAs are too large. This is obviously not true for the EA of In, where the actual FPD value and the experimental result of Walter et al. are in excellent agreement, to within 0.1 kcal/mol. The FPD EAs of the other two group 13 elements, Ga and Tl, differ from their experimental values by 2.5 and 1.3 kcal/mol, respectively, which is still outside of the estimated uncertainty limits of this FPD approach (conservatively ±0.5 kcal/mol), particularly for Ga, therefore the original conclusions for these two elements are largely unchanged.},

  doi          = {10.1063/1.5130197},

  journal      = {Journal of Chemical Physics},

  number       = 15,

  volume       = 151,

  place        = {United States},

  year         = {Mon Oct 21 00:00:00 EDT 2019},

  month        = {Mon Oct 21 00:00:00 EDT 2019}

}

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Journal Article:

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Cited by: 4 works

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Figures / Tables:

Table IV: Contributions to composite FPD Electron Affinities (kcal/mol).

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Works referenced in this record:

Electron affinity of indium and the fine structure of In $^{-}$ measured using infrared photodetachment threshold spectroscopy
journal, September 2010

Walter, C. W.; Gibson, N. D.; Carman, D. J.
Physical Review A, Vol. 82, Issue 3
DOI: 10.1103/physreva.82.032507

Beyond chemical accuracy in the heavy p-block: The first ionization potentials and electron affinities of Ga–Kr, In–Xe, and Tl–Rn
journal, July 2019

Finney, Brian A.; Peterson, Kirk A.
The Journal of Chemical Physics, Vol. 151, Issue 2
DOI: 10.1063/1.5110174

Binding Energies in Atomic Negative Ions: III
journal, November 1999

Andersen, T.; Haugen, H. K.; Hotop, H.
Journal of Physical and Chemical Reference Data, Vol. 28, Issue 6
DOI: 10.1063/1.556047

Laser photodetachment electron spectrometry of
journal, April 1998

Williams, W. W.; Carpenter, D. L.; Covington, A. M.
Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 31, Issue 8
DOI: 10.1088/0953-4075/31/8/003

Works referencing / citing this record:

Electron affinity of gallium and fine structure of ${Ga}^{-}$ : Experiment and theory
journal, November 2019

Gibson, N. D.; Walter, C. W.; Crocker, C.
Physical Review A, Vol. 100, Issue 5
DOI: 10.1103/physreva.100.052512

Figures / Tables found in this record:

Table IV (p. 2)

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Title: Erratum: “Beyond chemical accuracy in the heavy p-block: The first ionization potentials and electron affinities of Ga–Kr, In–Xe, and Tl–Rn” [J. Chem. Phys. 151, 024303 (2019)]

Abstract

Citation Formats

Figures / Tables:

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journal, July 2019

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