Barium monohydroxide
- Formula: BaHO
- Molecular weight: 154.334
- IUPAC Standard InChIKey: MVYYDFCVPLFOKV-UHFFFAOYSA-M
- CAS Registry Number: 12009-08-4
- Chemical structure:
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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 |
---|---|---|---|---|---|
ΔfH°gas | -226.44 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1975 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 252.86 | J/mol*K | Review | Chase, 1998 | Data 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.
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Temperature (K) | 298. to 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 |
Reference | Chase, 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 | λmin (nm) |
λmax (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 | |
---|---|---|---|---|---|---|---|
Π | 2 | Bend | 290 | T | gas | LF | Pooley, Beardah, et al., 1998 |
Σ+ | 3 | BaO stretch | 563 | gas | LF | Pooley, Beardah, et al., 1998 | |
State: C
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
gas | C-X | James and Sugden, 1955 | |||||
Pooley, Beardah, et al., 1998 | |||||||
State: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (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 | |
---|---|---|---|---|---|---|---|
Σ+ | 3 | BaO stretch | 461.0 ± 0.3 | gas | LF | Kinsey-Nielsen, Brazier, et al., 1986 | |
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (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 | |
---|---|---|---|---|---|---|---|
Π | 2 | Bend | 352 | gas | LF | Fernando, Douay, et al., 1990 | |
Σ+ | 3 | BaO stretch | 458 | gas | LF | Fernando, Douay, et al., 1990 | |
State: A'
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (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 | |
---|---|---|---|---|---|---|---|
Π | 2 | Bend | 342 | gas | LF | Fernando, Douay, et al., 1990 | |
Σ+ | 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 | |
---|---|---|---|---|---|---|---|
Π | 2 | Bend | 341.6 ± 0.6 | gas | LF | Kinsey-Nielsen, Brazier, et al., 1986 Pooley, Beardah, et al., 1998 | |
Σ+ | 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
U | Upper bound |
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
x | Energy 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 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
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