Barium monohydroxide

• Formula: BaHO
• Molecular weight: 154.334
• IUPAC Standard InChI: InChI=1S/Ba.H2O/h;1H2/q+1;/p-1 Copy

  
• IUPAC Standard InChIKey: MVYYDFCVPLFOKV-UHFFFAOYSA-M Copy
• CAS Registry Number: 12009-08-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Vibrational and/or electronic energy levels

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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 compiled by: Marilyn E. Jacox

State:   D

State:   C

State:   B

State:   A

State:   A'

State:   X

Additional references: Jacox, 1994, page 30; Jacox, 2003, page 24; Anderson, Allen, et al., 1993; Tandy, Wang, et al., 2009

Notes

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

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]

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

Kelly and Padley, 1970
Kelly, R.; Padley, P.J., Ionization potentials of alkaline-earth monohydroxides, Chem. Commun., 1970, 1606. [all data]

Stafford and Berkowitz, 1964
Stafford, F.E.; Berkowitz, J., Mass-spectrometric study of the reaction of water vapor with solid barium oxide, J. Chem. Phys., 1964, 40, 2963. [all data]

Pooley, Beardah, et al., 1998
Pooley, S.J.; Beardah, M.S.; Ellis, A.M., Electronic spectroscopy of the and transitions of BaOH, J. Electron Spectrosc. Relat. Phenom., 1998, 97, 1-2, 77, https://doi.org/10.1016/S0368-2048(98)00260-6 . [all data]

James and Sugden, 1955
James, C.G.; Sugden, T.M., A New Identification of the Flame Spectra of the Alkaline-Earth Metals, Nature, 1955, 175, 4451, 333, https://doi.org/10.1038/175333a0 . [all data]

Kinsey-Nielsen, Brazier, et al., 1986
Kinsey-Nielsen, S.; Brazier, C.R.; Bernath, P.F., Rotational analysis of the B 2Σ+--X 2Σ+ transition of BaOH and BaOD, J. Chem. Phys., 1986, 84, 2, 698, https://doi.org/10.1063/1.450566 . [all data]

Gustavsson, Alcaraz, et al., 1991
Gustavsson, T.; Alcaraz, C.; Berlande, J., et al., On the perturbations in the (000-000) band of the BaOH transition, J. Mol. Spectrosc., 1991, 145, 1, 210, https://doi.org/10.1016/0022-2852(91)90364-G . [all data]

Douglas, Hauge, et al., 1984
Douglas, M.A.; Hauge, R.H.; Margrave, J.L., Electronic Matrix Isolation Spectroscopic Studies of the Group IIA Metal---Water Photochemistry, High Temp. Sci., 1984, 17, 201. [all data]

Fernando, Douay, et al., 1990
Fernando, W.T.M.L.; Douay, M.; Bernath, P.F., Vibrational analysis of the and transitions of BaOH and BaOD, J. Mol. Spectrosc., 1990, 144, 2, 344, https://doi.org/10.1016/0022-2852(90)90220-K . [all data]

Wang, Tandy, et al., 2008
Wang, J.-G.; Tandy, J.D.; Bernath, P.F., High-resolution laser excitation spectroscopy of the transition of BaOH, J. Mol. Spectrosc., 2008, 252, 1, 31, https://doi.org/10.1016/j.jms.2008.06.006 . [all data]

Frey and Steimle, 2011
Frey, S.E.; Steimle, T.C., Optical Stark spectroscopy of the (000)← (000) system of barium monohydroxide, BaOH, Chem. Phys. Lett., 2011, 512, 1-3, 21, https://doi.org/10.1016/j.cplett.2011.06.070 . [all data]

Tandy, Wang, et al., 2011
Tandy, J.D.; Wang, J.-G.; Lievin, J.; Bernath, P.F., Investigating the electronic states of BaOH by V-type double resonance spectroscopy and ab initio calculations: Further evidence of perturbation from the state, J. Mol. Spectrosc., 2011, 270, 1, 44, https://doi.org/10.1016/j.jms.2011.08.009 . [all data]

Kauffman, Hauge, et al., 1984
Kauffman, J.W.; Hauge, R.H.; Margrave, J.L., High Temp. Sci., 1984, 18, 97. [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Anderson, Allen, et al., 1993
Anderson, M.A.; Allen, M.D.; Barclay, W.L., Jr.; Ziurys, L.M., The millimeter and sub-millimeter spectrum of the BaOH radical, Chem. Phys. Lett., 1993, 205, 4-5, 415, https://doi.org/10.1016/0009-2614(93)87144-R . [all data]

Tandy, Wang, et al., 2009
Tandy, J.D.; Wang, J.-G.; Bernth, P.F., High-resolution laser spectroscopy of BaOH and BaOD: Anomalous spin-orbit coupling in the state, J. Mol. Spectrosc., 2009, 255, 1, 63, https://doi.org/10.1016/j.jms.2009.03.002 . [all data]

Notes

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• Symbols used in this document:
  

  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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