barium oxide, obtained by calcining witherite

• Formula: BaO
• Molecular weight: 153.326
• IUPAC Standard InChI: InChI=1S/Ba.O Copy

  
• IUPAC Standard InChIKey: QVQLCTNNEUAWMS-UHFFFAOYSA-N Copy
• CAS Registry Number: 1304-28-5
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: barium oxide; Barium monoxide
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Constants of diatomic molecules
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to BaO⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Koitabashi, 1994
Koitabashi, M., Mass spectrum of barium oxide vapor, Jpn. J. Appl. Phys., 1994, 33, 5995. [all data]

Belyaev, Gotkis, et al., 1990
Belyaev, V.N.; Gotkis, I.S.; Lebedeva, N.L.; Krasnov, K.S., Ionization potentials of MX molecules (M = Ca, Sr, Ba; X = F, Cl, Br, I, OH, O), Russ. J. Phys. Chem., 1990, 64, 773. [all data]

Dyke, Feher, et al., 1987
Dyke, J.M.; Feher, M.; Gravenor, B.W.J.; Morris, A., High-temperature photoelectron spectroscopy: A study of the alkaline earth oxides SrO and BaO, J. Phys. Chem., 1987, 91, 4476. [all data]

Murad, 1981
Murad, E., Thermochemical properties of the gaseous alkaline earth monohydroxides, J. Chem. Phys., 1981, 75, 4080. [all data]

Rauh and Ackermann, 1976
Rauh, E.G.; Ackermann, R.J., Erratum: First ionization potentials of some refractory oxide vapors, J. Chem. Phys., 1976, 64, 1862. [all data]

Hilpert, Naoumidis, et al., 1975
Hilpert, K.; Naoumidis, A.; Wolff, G., Mass spectrometric study of the evaporation of BaAl₂O₄, High Temp. Sci., 1975, 7, 1. [all data]

Farber and Srivastava, 1975
Farber, M.; Srivastava, R.D., The dissociation energy of barium oxide, High Temp. Sci., 1975, 7, 74. [all data]

Panchenkov, Gusarov, et al., 1973
Panchenkov, I.G.; Gusarov, A.V.; Gorokhov, L.N., Dissociation energy of the barium oxide molecule, Russ. J. Phys. Chem., 1973, 47, 55. [all data]

Pupp, Yamdagni, et al., 1969
Pupp, C.; Yamdagni, R.; Porter, R.F., Mass spectrometric study of the evaporation of BaMoO₄ and BaWO₄, J. Inorg. Nucl. Chem., 1969, 31, 2021. [all data]

Mesnard, Uzan, et al., 1963
Mesnard, G.; Uzan, R.; Cabaud, B., Potentiels d'apparition des ions obtenus dans un spectrometre de masse a partir d'oxydes alcalino-terreux, Cahiers Phys., 1963, 17, 333. [all data]

Mesnard, Uzan, et al., 1966
Mesnard, G.; Uzan, R.; Cabaud, B., Etude au spectrometre de masse des produits d'evaporation du bioxyde de titane et du titanate de baryum, Rev. Phys. Appl., 1966, 1, 123. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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