Hypochlorous acid

• Formula: ClHO
• Molecular weight: 52.460
• IUPAC Standard InChI: InChI=1S/ClHO/c1-2/h2H Copy

  
• IUPAC Standard InChIKey: QWPPOHNGKGFGJK-UHFFFAOYSA-N Copy
• CAS Registry Number: 7790-92-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
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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 as indicated in comments:
J - Marilyn E. Jacox
Shim - Takehiko Shimanouchi

State:   X

Additional references: Jacox, 1994, page 52; Jacox, 1998, page 155; Jacox, 2003, page 45; Mirri, Scappini, et al., 1971; Gillis Singbeil, Anderson, et al., 1984; Anderson, Gerry, et al., 1986; Deeley, 1987; Bellini, De Natale, et al., 1995; Vander Auwera, Kleffmann, et al., 2000; Zheng, Ulenikov, et al., 2001

References

Go To: Top, 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.

Ashby, 1967
Ashby, R.A., The infrared spectrum of HOCl, J. Mol. Spectrosc., 1967, 23, 4, 439, https://doi.org/10.1016/0022-2852(67)90122-1 . [all data]

Su, Calvert, et al., 1979
Su, F.; Calvert, J.G.; Lindley, C.R.; Uselman, W.M.; Shaw, J.H., Fourier transform infrared kinetic study of hypochlorous acid and its absolute integrated infrared band intensities, J. Phys. Chem., 1979, 83, 8, 912, https://doi.org/10.1021/j100471a006 . [all data]

Wells, Sams, et al., 1979
Wells, J.S.; Sams, R.L.; Lafferty, W.J., The high resolution infrared spectrum of the ν1 band of HOCl, J. Mol. Spectrosc., 1979, 77, 3, 349, https://doi.org/10.1016/0022-2852(79)90177-2 . [all data]

Deeley and Mills, 1985
Deeley, C.M.; Mills, I.M., Vibration-rotation spectra and the harmonic force field of HOCl, J. Mol. Spectrosc., 1985, 114, 2, 368, https://doi.org/10.1016/0022-2852(85)90232-2 . [all data]

Junttila, Lafferty, et al., 1994
Junttila, M.-L.; Lafferty, W.J.; Burkholder, J.B., The High-Resolution Spectrum of the ν1 Band and Ground State Rotational Constants of HOCl, J. Mol. Spectrosc., 1994, 164, 2, 583, https://doi.org/10.1006/jmsp.1994.1102 . [all data]

Raston, Kelloway, et al., 2012
Raston, P.L.; Kelloway, D.D.; Jager, W., Infrared spectroscopy of HOCl embedded in superfluid helium nanodroplets: Probing the dynamical response of the solvent, J. Chem. Phys., 2012, 137, 1, 014302, https://doi.org/10.1063/1.4731283 . [all data]

Yoshinobu, Akai, et al., 2009
Yoshinobu, T.; Akai, N.; Kawai, A.; Shibuya, K., Neon matrix-isolation infrared spectrum of HOOCl measured upon the VUV-light irradiation of an HCl/O2 mixture, Chem. Phys. Lett., 2009, 477, 1-3, 70, https://doi.org/10.1016/j.cplett.2009.06.064 . [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]

Hedberg and Badger, 1951
Hedberg, K.; Badger, R.M., The Infrared Spectra of HOCl and DOCl, J. Chem. Phys., 1951, 19, 4, 508, https://doi.org/10.1063/1.1748265 . [all data]

Ashby, 1971
Ashby, R.A., On the infrared spectrum of HOCl, J. Mol. Spectrosc., 1971, 40, 3, 639, https://doi.org/10.1016/0022-2852(71)90264-5 . [all data]

Niki, Maker, et al., 1979
Niki, H.; Maker, P.D.; Savage, C.M.; Breitenbach, L.P., Fourier transform IR spectroscopic determination of the equilibrium constant for H2O + Cl2O = 2HOCl, Chem. Phys. lett., 1979, 66, 2, 325, https://doi.org/10.1016/0009-2614(79)85027-7 . [all data]

Sams and Olson, 1980
Sams, R.L.; Olson, W.B., Analysis of the high-resolution infrared spectrum of the ν2 bending mode of HOCl at 1238 cm-1, J. Mol. Spectrosc., 1980, 84, 1, 113, https://doi.org/10.1016/0022-2852(80)90244-1 . [all data]

Lafferty and Olson, 1986
Lafferty, W.J.; Olson, W.B., The high-resolution infrared spectra of the ν2 and ν3 bands of HOCl, J. Mol. Spectrosc., 1986, 120, 2, 359, https://doi.org/10.1016/0022-2852(86)90010-X . [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]

Mirri, Scappini, et al., 1971
Mirri, A.M.; Scappini, F.; Cazzoli, G., Microwave spectrum, structure and electric quadrupole coupling constants of HOCl, J. Mol. Spectrosc., 1971, 38, 2, 218, https://doi.org/10.1016/0022-2852(71)90107-X . [all data]

Gillis Singbeil, Anderson, et al., 1984
Gillis Singbeil, H.E.; Anderson, W.D.; Davis, R.W.; Gerry, M.C.L.; Cohen, E.A.; Pickett, H.M.; Lovas, F.J.; Suenram, R.D., The microwave and millimeter-wave spectra of hypochlorous acid, J. Mol. Spectrosc., 1984, 103, 2, 466, https://doi.org/10.1016/0022-2852(84)90069-9 . [all data]

Anderson, Gerry, et al., 1986
Anderson, W.D.; Gerry, M.C.L.; Davis, R.W., The microwave spectrum of isotopically substituted hypochlorous acid: Determination of the molecular structure, J. Mol. Spectrosc., 1986, 115, 1, 117, https://doi.org/10.1016/0022-2852(86)90280-8 . [all data]

Deeley, 1987
Deeley, C.M., Vibration-rotation spectra of deuterated hypochlorous acid and the determination of the equilibrium structure, J. Mol. Spectrosc., 1987, 122, 2, 481, https://doi.org/10.1016/0022-2852(87)90022-1 . [all data]

Bellini, De Natale, et al., 1995
Bellini, M.; De Natale, P.; Fusina, L.; Modugno, G., The Pure Rotation Spectrum of HOCl in the Submillimeter-Wave Region, J. Mol. Spectrosc., 1995, 172, 2, 559, https://doi.org/10.1006/jmsp.1995.1202 . [all data]

Vander Auwera, Kleffmann, et al., 2000
Vander Auwera, J.; Kleffmann, J.; Flaud, J.-M.; Pawelke, G.; Burger, H.; Hurtmans, D.; Petrisse, R., Absolute ν2 Line Intensities of HOCl by Simultaneous Measurements in the Infrared with a Tunable Diode Laser and Far-Infrared Region Using a Fourier Transform Spectrometer, J. Mol. Spectrosc., 2000, 204, 1, 36, https://doi.org/10.1006/jmsp.2000.8197 . [all data]

Zheng, Ulenikov, et al., 2001
Zheng, J.-J.; Ulenikov, O.N.; Bekhtereva, E.S.; Ding, Y.; He, S.-G.; Hu, S.-M.; Wang, X.-H.; Zhu, Q.-S., High-Resolution Rotational Analysis of Deuterated Hypochlorous Acid: Ground State, (100), and (020) Vibrational States, J. Mol. Spectrosc., 2001, 209, 1, 105, https://doi.org/10.1006/jmsp.2001.8412 . [all data]

Notes

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

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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