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Hypobromous acid


Reaction 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.

Data compiled by: John E. Bartmess

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Individual Reactions

BrO- + Hydrogen cation = Hypobromous acid

By formula: BrO- + H+ = HBrO

Quantity Value Units Method Reference Comment
Deltar355. ± 66.kcal/molAcidGilles, Polak, et al., 1992gas phase
Quantity Value Units Method Reference Comment
Deltar349. ± 67.kcal/molH-TSGilles, Polak, et al., 1992gas phase

Henry's Law 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 by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
93. EN/A 
1.8 TN/AData from Table 1 in preprint of the paper. J. Geophys. Res. forgot to print the tables.
>1900. MN/A 

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:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV) Method Reference Comment
10.642 ± 0.005EVALRuscic and Berkowitz, 1994LL
10.646 ± 0.005TERuscic and Berkowitz, 1994LL
10.638 ± 0.003PIRuscic and Berkowitz, 1994, 2LL
10.62 ± 0.04PIMonks, Stief, et al., 1994LL

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Br+13.915 ± 0.018OHPIRuscic and Berkowitz, 1994, 2LL

De-protonation reactions

BrO- + Hydrogen cation = Hypobromous acid

By formula: BrO- + H+ = HBrO

Quantity Value Units Method Reference Comment
Deltar355. ± 66.kcal/molAcidGilles, Polak, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Deltar349. ± 67.kcal/molH-TSGilles, Polak, et al., 1992gas phase; B

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:   ?


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

xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.
dPhotodissociation threshold

References

Go To: Top, Reaction thermochemistry data, Henry's Law 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.

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]

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]

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 «nu»1 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 «nu»2 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 «nu»3 bands of HOBr around 16«mu»m 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 «nu»1 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

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