Hypobromous acid
- Formula: BrHO
- Molecular weight: 96.911
- IUPAC Standard InChIKey: CUILPNURFADTPE-UHFFFAOYSA-N
- CAS Registry Number: 13517-11-8
- Chemical structure:
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Gas phase ion energetics 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.
Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.642 ± 0.005 | EVAL | Ruscic and Berkowitz, 1994 | LL |
10.646 ± 0.005 | TE | Ruscic and Berkowitz, 1994 | LL |
10.638 ± 0.003 | PI | Ruscic and Berkowitz, 1994, 2 | LL |
10.62 ± 0.04 | PI | Monks, Stief, et al., 1994 | LL |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
Br+ | 13.915 ± 0.018 | OH | PI | Ruscic and Berkowitz, 1994, 2 | LL |
De-protonation reactions
BrO- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1490. ± 280. | kJ/mol | Acid | Gilles, Polak, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1460. ± 280. | kJ/mol | H-TS | Gilles, Polak, et al., 1992 | gas phase; B |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics 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: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 35700 | gas | Orlando and Burkholder, 1995 | |||||
Benter, Feldmann, et al., 1995 | |||||||
Rattigan, Lary, et al., 1996 | |||||||
Ingham, Bauer, et al., 1998 | |||||||
State: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 28600 | gas | Orlando and Burkholder, 1995 | |||||
Benter, Feldmann, et al., 1995 | |||||||
Rattigan, Lary, et al., 1996 | |||||||
Ingham, Bauer, et al., 1998 | |||||||
State: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Txd = 21900 | Barnes, Lock, et al., 1996 | ||||||
Rattigan, Lary, et al., 1996 | |||||||
Ingham, Bauer, et al., 1998 | |||||||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 1 | OH stretch | 3614.90 | gas | IR | Barnes, Bastian, et al., 1989 Cohen, McRae, et al., 1995 | |
1 | OH stretch | 3590 | Ar | IR | Schwager and Arkell, 1967 | ||
2 | Bend | 1162.57 | gas | IR | McRae and Cohen, 1990 | ||
2 | Bend | 1163.1 | Ne | IR | Akai, Wakamatsu, et al., 2010 | ||
2 | Bend | 1164 | Ar | IR | Schwager and Arkell, 1967 | ||
3 | OBr stretch | 620.23 | gas | IR | Barnes, Bastian, et al., 1989 McRae and Cohen, 1990 Barnes, Becker, et al., 1992 Orphal, Kou, et al., 2003 | ||
3 | OBr stretch | 626.0 | Ar | IR | Schwager and Arkell, 1967 | ||
Additional references: Jacox, 1994, page 52; Jacox, 1998, page 156; Jacox, 2003, page 45; Koga, Takeo, et al., 1989; Tan and Goh, 2000; Cohen, Muller, et al., 2010
Notes
x | Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state. |
d | Photodissociation threshold |
References
Go To: Top, 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.
Ruscic and Berkowitz, 1994
Ruscic, B.; Berkowitz, J.,
Threshold photoelectron spectrum of HOBr,
J. Chem. Phys., 1994, 101, 9215. [all data]
Ruscic and Berkowitz, 1994, 2
Ruscic, B.; Berkowitz, J.,
Experimental determination of Hf(HOBr) and ionization potentials (HOBr): Implications for corresponding properties of HOI,
J. Chem. Phys., 1994, 101, 7795. [all data]
Monks, Stief, et al., 1994
Monks, P.S.; Stief, L.J.; Krauss, M.; Kuo, S.C.; Klemm, R.B.,
A discharge flow-photoionization mass spectrometric study of HOBr (X<1>A'): Photoion yield spectrum, ionization energy, and thermochemistry,
J. Chem. Phys., 1994, 100, 1902. [all data]
Gilles, Polak, et al., 1992
Gilles, M.K.; Polak, M.L.; Lineberger, W.C.,
Photoelectron Spectroscopy of the Halogen Oxide Anions FO-, ClO-, BrO-, IO-, OClO-, and OIO-,
J. Chem. Phys., 1992, 96, 11, 8012, https://doi.org/10.1063/1.462352
. [all data]
Orlando and Burkholder, 1995
Orlando, J.J.; Burkholder, J.B.,
Gas-Phase UV/Visible Absorption Spectra of HOBr and Br2O,
J. Phys. Chem., 1995, 99, 4, 1143, https://doi.org/10.1021/j100004a013
. [all data]
Benter, Feldmann, et al., 1995
Benter, T.; Feldmann, C.; Kirchner, U.; Schmidt, M.; Schmidt, S.; Schindler, R.N.,
Ber. Bunsenges. Phys. Chem., 1995, 99, 1144. [all data]
Rattigan, Lary, et al., 1996
Rattigan, O.V.; Lary, D.J.; Jones, R.L.; Cox, R.A.,
UV-visible absorption cross sections of gaseous Br,
J. Geophys. Res. D, 1996, 101, D17, 23021, https://doi.org/10.1029/96JD02017
. [all data]
Ingham, Bauer, et al., 1998
Ingham, T.; Bauer, D.; Landgraf, J.; Crowley, J.N.,
Ultraviolet-Visible Absorption Cross Sections of Gaseous HOBr,
J. Phys. Chem. A, 1998, 102, 19, 3293, https://doi.org/10.1021/jp980272c
. [all data]
Barnes, Lock, et al., 1996
Barnes, R.J.; Lock, M.; Coleman, J.; Sinha, A.,
Observation of a New Absorption Band of HOBr and Its Atmospheric Implications,
J. Phys. Chem., 1996, 100, 2, 453, https://doi.org/10.1021/jp952445t
. [all data]
Barnes, Bastian, et al., 1989
Barnes, I.; Bastian, V.; Becker, K.H.; Overath, R.; Zhu, T.,
Rate constants for the reactions of Br atoms with a series of alkanes, alkenes, and alkynes in the presence of O2,
Int. J. Chem. Kinet., 1989, 21, 7, 499, https://doi.org/10.1002/kin.550210703
. [all data]
Cohen, McRae, et al., 1995
Cohen, E.A.; McRae, G.A.; Tan, T.L.; Friedl, R.R.; Johns, J.W.C.; Noel, M.,
The ν1 Band of HOBr,
J. Mol. Spectrosc., 1995, 173, 1, 55, https://doi.org/10.1006/jmsp.1995.1218
. [all data]
Schwager and Arkell, 1967
Schwager, I.; Arkell, A.,
None,
J. Am. Chem. Soc., 1967, 89, 24, 6006, https://doi.org/10.1021/ja01000a002
. [all data]
McRae and Cohen, 1990
McRae, G.A.; Cohen, E.A.,
The ν2 band of HOBr,
J. Mol. Spectrosc., 1990, 139, 2, 369, https://doi.org/10.1016/0022-2852(90)90074-Z
. [all data]
Akai, Wakamatsu, et al., 2010
Akai, N.; Wakamatsu, D.; Yoshinobu, T.; Kawai, A.; Shibuya, K.,
Matrix-isolation infrared spectra of HOOBr and HOBrO produced upon VUV light irradiation of HBr/O2/Ne system,
Chem. Phys. Lett., 2010, 499, 1-3, 117, https://doi.org/10.1016/j.cplett.2010.09.039
. [all data]
Barnes, Becker, et al., 1992
Barnes, I.; Becker, K.H.; Starcke, J.,
FTIR spectroscopic observation of gaseous HOI,
Chem. Phys. Lett., 1992, 196, 6, 578, https://doi.org/10.1016/0009-2614(92)85997-O
. [all data]
Orphal, Kou, et al., 2003
Orphal, J.; Kou, Q.; Kwabia Tchana, F.; Pirali, O.; Flaud, J.-M.,
The ν3 bands of HOBr around 16μm measured by high-resolution Fourier-transform spectroscopy,
J. Mol. Spectrosc., 2003, 221, 2, 239, https://doi.org/10.1016/S0022-2852(03)00222-4
. [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, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [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]
Koga, Takeo, et al., 1989
Koga, Y.; Takeo, H.; Kondo, S.; Sugie, M.; Matsumura, C.; McRae, G.A.; Cohen, E.A.,
The rotational spectra, molecular structure, dipole moment, and hyperfine constants of HOBr and DOBr,
J. Mol. Spectrosc., 1989, 138, 2, 467, https://doi.org/10.1016/0022-2852(89)90013-1
. [all data]
Tan and Goh, 2000
Tan, T.L.; Goh, K.L.,
The High-Resolution FTIR Spectrum of the ν1 Band of DOBr,
J. Mol. Spectrosc., 2000, 199, 1, 87, https://doi.org/10.1006/jmsp.1999.7976
. [all data]
Cohen, Muller, et al., 2010
Cohen, E.A.; Muller, H.S.P.; Tan, T.L.; McRae, G.A.,
High resolution spectroscopy of DOBr and molecular properties of hypobromous acid,
J. Mol. Spectrosc., 2010, 262, 1, 30, https://doi.org/10.1016/j.jms.2010.04.009
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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