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Hydrogen chloride

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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to ClH+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)12.744 ± 0.009eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)556.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity530.1kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
12.790PEWang, Dillon, et al., 1984LBLHLM
12.752 ± 0.006PEPennetreau, Natalis, et al., 1983LBLHLM
12.748PEVon Niessen, Asbrink, et al., 1982LBLHLM
12.747 ± 0.002PENatalis, Pennetreau, et al., 1982LBLHLM
12.75PEKimura, Katsumata, et al., 1981LLK
12.72 ± 0.03PITiedemann, Anderson, et al., 1979LLK
12.748EVALHuber and Herzberg, 1979LLK
12.748 ± 0.005PEWeiss, Lawrence, et al., 1970RDSH
12.74 ± 0.01PELempka, Passmore, et al., 1968RDSH
12.742 ± 0.010PINicholson, 1965RDSH
12.74 ± 0.01PIWatanabe, 1957RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Cl+17.34 ± 0.01HPIKrauss, Walker, et al., 1968RDSH
H+14.5Cl-EIFox, 1957RDSH

De-protonation reactions

Chlorine anion + Hydrogen cation = Hydrogen chloride

By formula: Cl- + H+ = HCl

Quantity Value Units Method Reference Comment
Deltar1394.9kJ/molN/AMartin and Hepburn, 1998gas phase; Given: «DELTA»Hacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B
Deltar1396. ± 8.8kJ/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Deltar1377.0kJ/molN/ACheck, Faust, et al., 2001gas phase; FeCC-(q); ; «DELTA»S(EA)=5.0; B
Quantity Value Units Method Reference Comment
Deltar1372.8 ± 0.42kJ/molH-TSMartin and Hepburn, 1998gas phase; Given: «DELTA»Hacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B
Deltar1374. ± 8.4kJ/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Deltar1354.4kJ/molN/ACheck, Faust, et al., 2001gas phase; FeCC-(q); ; «DELTA»S(EA)=5.0; B

References

Go To: Top, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Wang, Dillon, et al., 1984
Wang, R.-G.; Dillon, M.A.; Spence, D., Electron spectroscopy of hydrogen chloride from 5 to 19 eV, J. Chem. Phys., 1984, 80, 63. [all data]

Pennetreau, Natalis, et al., 1983
Pennetreau, P.; Natalis, P.; Longton, L.; Collin, J.E., Ionization energies for the vibronic transitions from DCl X1«SIGMA»+(v" = 0) to DCl+ X2«PI»(v' = 0-18) and A2«SIGMA»+ (v' = 0-17) determined by photoelectron spectroscopy, J. Electron Spectrosc. Relat. Phenom., 1983, 28, 295. [all data]

Von Niessen, Asbrink, et al., 1982
Von Niessen, W.; Asbrink, L.; Bieri, G., 30.4 nm He(II) Photoelectron spectra of organic molecules. Part VI. Halogeno-compounds (C,H,X: X = Cl, Br, I), J. Electron Spectrosc. Relat. Phenom., 1982, 26, 173. [all data]

Natalis, Pennetreau, et al., 1982
Natalis, P.; Pennetreau, P.; Longton, L.; Collin, J.E., Ionisation energy values for the vibronic transitions from HCl X1«SIGMA»+ (v" = 0) to HCl+ ionic states X2«PI» (v' = 0-13) and A2«SIGMA»+ (v' = 0-12), determined by photoelectron spectroscopy, J. Electron Spectrosc. Relat. Phenom., 1982, 27, 267. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Tiedemann, Anderson, et al., 1979
Tiedemann, P.W.; Anderson, S.L.; Ceyer, S.T.; Hirooka, T.; Ng, C.Y.; Mahan, B.H.; Lee, Y.T., Proton affinities of hydrogen halides determined by the molecular beam photoionization method, J. Chem. Phys., 1979, 71, 605. [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]

Weiss, Lawrence, et al., 1970
Weiss, M.J.; Lawrence, G.M.; Young, R.A., Photoelectron spectroscopy of HCI and DCI using molecular beams, J. Chem. Phys., 1970, 52, 2867. [all data]

Lempka, Passmore, et al., 1968
Lempka, H.J.; Passmore, T.R.; Price, W.C., The photoelectron spectra and ionized states of the halogen acids, Proc. Roy. Soc. (London), 1968, A304, 53. [all data]

Nicholson, 1965
Nicholson, A.J.C., Photoionization-efficiency curves. II. False and genuine structure, J. Chem. Phys., 1965, 43, 1171. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Krauss, Walker, et al., 1968
Krauss, M.; Walker, J.A.; Dibeler, V.H., Mass spectrometric study of photoionization. X. Hydrogen chloride and methyl halides, J. Res. NBS, 1968, 72A, 281. [all data]

Fox, 1957
Fox, R.E., Negative ion formation in hydrogen chloride by electron impact, J. Chem. Phys., 1957, 26, 1281. [all data]

Martin and Hepburn, 1998
Martin, J.D.D.; Hepburn, J.W., Determination of bond dissociation energies by threshold ion-pair production spectroscopy: An improved D-0(HCl), J. Chem. Phys., 1998, 109, 19, 8139-8142, https://doi.org/10.1063/1.477476 . [all data]

Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [all data]

Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S., Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements, J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l . [all data]


Notes

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