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
  The 3d structure may be viewed using Java or Javascript.
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
  • Switch to SI units

Gas phase thermochemistry data

Go To: Top, Vibrational and/or electronic energy levels, References, Notes

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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, References, Notes

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, 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]

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

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

• 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
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.