Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Barium monohydroxide


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.

Quantity Value Units Method Reference Comment
Deltafgas-226.44kJ/molReviewChase, 1998Data last reviewed in December, 1975
Quantity Value Units Method Reference Comment
gas,1 bar252.86J/mol*KReviewChase, 1998Data last reviewed in December, 1975

Gas Phase Heat Capacity (Shomate Equation)

Cp° = 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
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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

View table.

Temperature (K) 298. - 6000.
A 51.94740
B 2.518601
C 0.667164
D -0.085729
E -0.581994
F -244.0060
G 311.6700
H -226.4400
ReferenceChase, 1998
Comment Data last reviewed in December, 1975

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


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 23057 gas D-X 413 454 Pooley, Beardah, et al., 1998


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Pi 2 Bend 290 T gas LF Pooley, Beardah, et al., 1998
Sigma+ 3 BaO stretch 563 gas LF Pooley, Beardah, et al., 1998

State:   C


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

gas C-X James and Sugden, 1955
Pooley, Beardah, et al., 1998

State:   B


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 13200.007 ± 0.002 gas B-X 710 757 Kinsey-Nielsen, Brazier, et al., 1986
Gustavsson, Alcaraz, et al., 1991
Tx = 13105 ± 15 Kr B-X Douglas, Hauge, et al., 1984


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Sigma+ 3 BaO stretch 461.0 ± 0.3 gas LF Kinsey-Nielsen, Brazier, et al., 1986

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 11763.24 gas A-X 827 874 Fernando, Douay, et al., 1990
Wang, Tandy, et al., 2008
Frey and Steimle, 2011
Tx = 11892 ± 15 Kr A-X Douglas, Hauge, et al., 1984


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Pi 2 Bend 352 gas LF Fernando, Douay, et al., 1990
Sigma+ 3 BaO stretch 458 gas LF Fernando, Douay, et al., 1990

State:   A'


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

11306.29 U gas A'-X 848 888 Fernando, Douay, et al., 1990
Tandy, Wang, et al., 2011


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Pi 2 Bend 342 gas LF Fernando, Douay, et al., 1990
Sigma+ 3 BaO stretch 468 gas LF Fernando, Douay, et al., 1990

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Pi 2 Bend 341.6 ± 0.6 gas LF Kinsey-Nielsen, Brazier, et al., 1986
Pooley, Beardah, et al., 1998
Sigma+ 3 BaO stretch 492.4 ± 0.8 gas LF Kinsey-Nielsen, Brazier, et al., 1986
Pooley, Beardah, et al., 1998
3 BaO stretch 430.1 Ar IR Kauffman, Hauge, et al., 1984

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

Notes

UUpper bound
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

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 2«SIGMA»+--X 2«SIGMA»+ 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