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Hydrogen iodide

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Gas phase ion energetics data

Go To: Top, Constants of diatomic molecules, References, Notes

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
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 HI+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.386 ± 0.001eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)627.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity601.3kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.38PEKimura, Katsumata, et al., 1981LLK
10.386 ± 0.001SEland and Berkowitz, 1977LLK
10.38 ± 0.01PELempka, Passmore, et al., 1968RDSH
10.42 ± 0.01PEFrost, McDowell, et al., 1967RDSH
10.38 ± 0.02PIWatanabe, 1957RDSH
10.3 ± 0.1EIFriedman, 1955RDSH
~10.39SPrice, 1938RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
I+13.49 ± 0.13?PIEland and Berkowitz, 1977LLK

De-protonation reactions

Iodide + Hydrogen cation = Hydrogen iodide

By formula: I- + H+ = HI

Quantity Value Units Method Reference Comment
Deltar1315.24 ± 0.084kJ/molD-EAPelaez, Blondel, et al., 2009gas phase; Given: 3.0590463(38) eV; B
Deltar1312.1kJ/molN/ACheck, Faust, et al., 2001gas phase; Fe(CO)2-(q); ; «DELTA»S(EA)=5.0; B
Quantity Value Units Method Reference Comment
Deltar1294.03 ± 0.25kJ/molH-TSPelaez, Blondel, et al., 2009gas phase; Given: 3.0590463(38) eV; B
Deltar1290.8kJ/molN/ACheck, Faust, et al., 2001gas phase; Fe(CO)2-(q); ; «DELTA»S(EA)=5.0; B

Constants of diatomic molecules

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: Klaus P. Huber and Gerhard H. Herzberg

Data collected through September, 1976

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for H127I
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
L [100640] 1          L larrow X 99500
Terwilliger and Smith, 1975
H (1) [75435] 2          H larrow X 74290
missing citation; missing citation
F 1Delta [71372.8]    [6.335] 3   [2.3E-4] 3  [1.631] F larrow X R 70228.2 Z
missing citation
f1 3Delta1 [70831.5]    [6.015] 4     [1.674] f1 larrow X R 69686.9 Z
missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
D 1Pi [70389.0]    [6.198] 5   [2.1E-4] 5  [1.649] D larrow X R 69244.4 Z
missing citation
d0 3Pi0 [70302.4]    [6.117] 6   [2.1E-4] 6  [1.660] d0 larrow X R 69157.8 6 Z
missing citation
7           
Ginter, Tilford, et al., 1975
G 1 [70136.4]    [6.406] 8   [3.2E-4] 8  [1.622] G larrow X R 68991.8 Z
missing citation; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
V 1Sigma+     [2.84] 9   [2.0E-4] 9  [2.44] 9 V larrow X R 68004.4 9 Z
missing citation
E 1Sigma+ (66326) [1681.8] Z   [6.110] 10  [2.5E-4] 10  [1.6611] E larrow X R 66022.6 Z
missing citation; missing citation
f2 3Delta2 [65838.6]    [6.757] 11   [12.3E-4] 11  [1.580] f2 larrow X V 64694.0 Z
missing citation
f3 3Delta3 [65717.5]    [5.706] 12   [-8.3E-4] 12  [1.719] f3 larrow X R 64572.9 Z
missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
e 3Sigma+ [65345] 13          e larrow X 64200
missing citation
d1 3Pi1 [65028] 14          d1 larrow X 63883 HQ
missing citation
d2 3Pi2 (63922) [2154.4] Z   [6.065] 15  1.7E-4  [1.6673] d2 larrow X R 63854.9 Z
missing citation
C 1Pi (62378) [2183] HQ 16         C larrow X 62325 HQ
Price, 1938; Tilford, Ginter, et al., 1970
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
b0 3Pi0+ 60858.7 2314.7 17 Z 54.3 17  6.493 17 0.118 17    1.6114 b0 larrow X 60857.9 Z
missing citation; missing citation
b0 3Pi0- (60840) 18 2314.7 17 Z 54.3 17  6.493 17 0.118 17    1.6114 b0 larrow X 60839 HQ
missing citation
b1 3Pi1 (56783) [2200]   [6.427] 19     [1.6196] b1 larrow X 56738.3 Z
Price, 1938; Tilford, Ginter, et al., 1970
b2 3Pi2 (55874) [2207.4] Z   6.436 0.175    1.6185 b2 larrow X 55833.1 Z
missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A (1Pi) 20          A larrow X 21 
Goodeve and Taylor, 1936; Datta and Kundu, 1941; Romand, 1949; Huebert and Martin, 1968; Ogilvie, 1971
20          a larrow X 21 
Goodeve and Taylor, 1936; Datta and Kundu, 1941; Romand, 1949; Huebert and Martin, 1968; Ogilvie, 1971
(3Pi0+) 20          A larrow X 21 
Goodeve and Taylor, 1936; Datta and Kundu, 1941; Romand, 1949; Huebert and Martin, 1968; Ogilvie, 1971
(3Pi1) 20          a larrow X 21 
Goodeve and Taylor, 1936; Datta and Kundu, 1941; Romand, 1949; Huebert and Martin, 1968; Ogilvie, 1971
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X 1Sigma+ 0 2309.014 Z 39.6435 22 -0.0200 [6.4263650] 23 24 0.16886 25 -0.00095 [2.069E-4] 23  1.60916 26  
Boyd and Thompson, 1952; Haeusler, Meyer, et al., 1964; Hurlock, Alexander, et al., 1971; Bernage, Niay, et al., 1974
          27  
Czerny, 1927; Palik, 1955; Cowan and Gordy, 1956; De Lucia, Helminger, et al., 1971
          28  
Cherlow, Hyatt, et al., 1975

Notes

1Broad absorption peak (width ~4500 cm-1). 31
2First member of a Rydberg series converging to X 2 Pi1/2 (v=0) of HI+ (I.P. = 11.05 eV); fragments of additional series. 32
3Average B and D, B(2+) - B(2-)= -0.05.
4Average of B value, B(1+) - B(1-) = +0.240.
5Refers to the 1+ component; B(1-) ~ 6.25.
6Constants refer to the 0+ component; for 0- B0 = 6.091, v00 = 69149.5.
7Additional unclassified absorption bands between 68100 and 69000 cm-1.
8missing note
9Vibrational numbering uncertain; the numbers given refer to the lowest level observed in absorption for which v is probably fairly high. Several higher vibrational levels have been found; strong perturbations.
10B1 = 5.62, D1= 28E-4, perturbed at high J.
11Average B and D, B(2+) - B(2-) = -0.040.
12Average B and D, B(3+) - B(3-) = +0.018.
13Very diffuse feature.
14Diffuse feature.
15B1(3Pi2)= -5.923.
16Diffuse, no rotational structure.
17From v=0, 1, 3 only; gammare = -0.0317.
18Diffuse Q head only.
19(v=1 diffuse Q head)
20Continuous absorption starting at ~28000 with maximum at ~46000 cm-1.
21Photofragment spectroscopy at 37550 cm-1 Clear, Riley, et al., 1975 shows that the continuum is of composite nature; 36% of the absorption is due to 3Pi0+ yielding H + I(2P1/2). Clear, Riley, et al., 1975 have analyzed the continuum in terms of three overlapping transitions 1Pi, 3Pi0+, 3Pi1 larrow X. A very weak continuum with maximum at 23500 cm-1 was reported by Datta and Kundu, 1941.
22weze = +0.01621, from the 1-0,...,4-0 vibrational-rotational bands Hurlock, Alexander, et al., 1971; very slightly different constants are given by Bernage, Niay, et al., 1974 who have measured the 5-0 and 6-0 bands.
23Microwave value De Lucia, Helminger, et al., 1971.
24Dunham potential coefficients Ogilvie and Koo, 1976.
25gammae from Hurlock, Alexander, et al., 1971, see 22.
26Rot.-vib. sp. 34
27Rotation sp. 35 36
28Raman sp. 37
29From D00(H2), D00(I2), and DeltaHf0(HI, from gaseous H2,I2).
30From photoionization studies by Watanabe, Nakayama, et al., 1962; refers to X 2Pi3/2 of HI+. Lempka, Passmore, et al., 1968 give the same value, Frost, McDowell, et al., 1967 give 10.42 eV from the photoelectron spectrum.
31Diffuse on account of predissociation and preionization; presumably first member of a Rydberg series converging to A 2Sigma+ of HI+ Terwilliger and Smith, 1975.
32Above the first ionization limit (X 2Pi3/2) the members of the series are subject to preionization and are seen as photoionization peaks Tsai and Baer, 1974.
33Average B and D, B(1+) - B(1-) = +0.107.
34The 1-0,...,6-0 bands have been observed in absorption. Absolute intensities, dipole moment function Ameer and Beneschi, 1962, Benesch, 1963, Meyer, Haeusler, et al., 1965, Jacobi, 1967, Tipping and Forbes, 1971. The R branch of the fundamental is much stronger than the P branch on account of rotation-vibration interaction; for the overtones this effect is very small Benesch, 1963, Meyer, Haeusler, et al., 1965. The overall intensities decrease rather slowly in the series 1-0, 2-0, 3-0 Benesch, 1963, Meyer, Haeusler, et al., 1965. Line width, pressure broadening studied by Ameer and Beneschi, 1962, Meyer, Haeusler, et al., 1965.
35From the hfs of the microwave spectrum Van Dijk and Dymanus, 1968 derive nuclear quadrupole (I) and other hyperfine coupling constants; see also De Lucia, Helminger, et al., 1971. From the Stark effect in the hfs of the 1-0 transition van Dijk and Dymanus, 1970 obtain muel(v=0) = 0.4477.
36Absolute intensities Chamberlain and Gebbie, 1965.
37Vibrational Raman cross sections.

References

Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, 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]

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]

Eland and Berkowitz, 1977
Eland, J.H.D.; Berkowitz, J., Photoionization mass spectrometry of HI and DI at high resolution, J. Chem. Phys., 1977, 67, 5034. [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]

Frost, McDowell, et al., 1967
Frost, D.C.; McDowell, C.A.; Vroom, D.A., Photoelectron spectra of the halogens and the hydrogen halides, J. Chem. Phys., 1967, 46, 4255. [all data]

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

Friedman, 1955
Friedman, L., Mass spectrum of lithium iodide, J. Chem. Phys., 1955, 23, 477. [all data]

Price, 1938
Price, W.C., The absorption spectra of the halogen acids in the vacuum ultra-violet, Proc. Roy. Soc. (London), 1938, A167, 216. [all data]

Pelaez, Blondel, et al., 2009
Pelaez, R.J.; Blondel, C.; Delsart, C.; Drag, C., Pulsed photodetachment microscopy and the electron affinity of iodine, J. Phys. B: Atom. Mol. Opt. Phys., 2009, 42, 12, 125001, https://doi.org/10.1088/0953-4075/42/12/125001 . [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]

Terwilliger and Smith, 1975
Terwilliger, D.T.; Smith, A.L., Autoionization in diatomics: measured line shape parameters and predicted photoelectron spectra for some autoionizing states of the hydrogen halides, J. Chem. Phys., 1975, 63, 1008. [all data]

Ginter, Tilford, et al., 1975
Ginter, M.L.; Tilford, S.G.; Bass, A.M., Electronic spectra and structure of the hydrogen halides. States associated with the («sigma»2«pi»3)c«sigma» and («sigma»2«pi»3)c«pi» configurations of HI and DI, J. Mol. Spectrosc., 1975, 57, 271. [all data]

Tilford, Ginter, et al., 1970
Tilford, S.G.; Ginter, M.L.; Bass, A.M., Electronic spectra and structure of the hydrogen halides. The b3«PI»i and C1«PI» states of HI and DI, J. Mol. Spectrosc., 1970, 34, 327. [all data]

Goodeve and Taylor, 1936
Goodeve, C.F.; Taylor, A.W.C., The continuous absorption spectrum of hydrogen iodide, Proc. R. Soc. London A, 1936, 154, 181. [all data]

Datta and Kundu, 1941
Datta, S.; Kundu, D.N., The continuous absorption spectra of the hydrogen-halides. Part III - HI, Proc. Natl. Inst. Sci. India, 1941, 7, 311. [all data]

Romand, 1949
Romand, J., Absorption ultraviolette dans la region de Schumann etude de: ClH, BrH et lH gazeux, Ann. Phys. (Paris), 1949, 4, 527. [all data]

Huebert and Martin, 1968
Huebert, B.J.; Martin, R.M., Gas-phase far-ultraviolet absorption spectrum of hydrogen bromide and hydrogen iodide, J. Phys. Chem., 1968, 72, 3046. [all data]

Ogilvie, 1971
Ogilvie, J.F., Semi-experimental determination of a repulsive potential curve for hydrogen iodide, Trans. Faraday Soc., 1971, 67, 2205. [all data]

Boyd and Thompson, 1952
Boyd, D.R.J.; Thompson, H.W., The fundamental vibration band of hydrogen iodide, Spectrochim. Acta, 1952, 5, 308. [all data]

Haeusler, Meyer, et al., 1964
Haeusler, C.; Meyer, C.; Barchewitz, P., Constantes de vibration et de rotation de l'acide iodhydrique gazeux etude des bandes d'absorption v0-2 et v0-4, J. Phys. (Paris), 1964, 25, 961. [all data]

Hurlock, Alexander, et al., 1971
Hurlock, S.C.; Alexander, R.M.; Rao, K.N.; Dreska, N., Infrared bands of HI and DI, J. Mol. Spectrosc., 1971, 37, 373. [all data]

Bernage, Niay, et al., 1974
Bernage, P.; Niay, P.; Houdart, R., Notes des membres et correspondants et notes presentees ou transmises par leurs soins, C.R. Acad. Sci. Paris, Ser. B, 1974, 278, 235. [all data]

Czerny, 1927
Czerny, M., Die rotationsspektren der halogenwasserstoffe, Z. Phys., 1927, 44, 235. [all data]

Palik, 1955
Palik, E.D., The pure rotational spectra of DBr, HI, and DI in the spectral region between 45 and 170 microns, J. Chem. Phys., 1955, 23, 217. [all data]

Cowan and Gordy, 1956
Cowan, M.; Gordy, W., Further extension of microwave spectroscopy in the submillimeter wave region, Phys. Rev., 1956, 104, 551. [all data]

De Lucia, Helminger, et al., 1971
De Lucia, F.C.; Helminger, P.; Gordy, W., Submillimeter-wave spectra and equilibrium structures of the hydrogen halides, Phys. Rev. A: Gen. Phys., 1971, 3, 1849. [all data]

Cherlow, Hyatt, et al., 1975
Cherlow, J.M.; Hyatt, H.A.; Porto, S.P.S., Raman scattering in hydrogen halide gases, J. Chem. Phys., 1975, 63, 3996. [all data]

Clear, Riley, et al., 1975
Clear, R.D.; Riley, S.J.; Wilson, K.R., Energy partitioning and assignment of excited states in the ultraviolet photolysis of HI and DI, J. Chem. Phys., 1975, 63, 1340. [all data]

Ogilvie and Koo, 1976
Ogilvie, J.F.; Koo, D., Dunham potential energy coefficients of the hydrogen halides and carbon monoxide, J. Mol. Spectrosc., 1976, 61, 332-336. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Tsai and Baer, 1974
Tsai, B.P.; Baer, T., Analysis of autoionizing Rydberg states in HI and CH3I. Comments on Rydberg electron wavefunctions, J. Chem. Phys., 1974, 61, 2047. [all data]

Ameer and Beneschi, 1962
Ameer, G.; Beneschi, W., Line strengths and widths in hydrogen iodide, J. Chem. Phys., 1962, 37, 2699. [all data]

Benesch, 1963
Benesch, W., Simultaneous measurement of HI fundamental and overtone lines, J. Chem. Phys., 1963, 39, 1048. [all data]

Meyer, Haeusler, et al., 1965
Meyer, C.; Haeusler, C.; Barchewitz, P., Intensites et largeurs des raies de vibration-rotation de molecules diatomiques, J. Phys. (Paris), 1965, 26, 305. [all data]

Jacobi, 1967
Jacobi, N., Electrical anharmonicities of diatomic molecules, J. Mol. Spectrosc., 1967, 22, 76. [all data]

Tipping and Forbes, 1971
Tipping, R.H.; Forbes, A., Dipole moment function of HI, J. Mol. Spectrosc., 1971, 39, 65. [all data]

Van Dijk and Dymanus, 1968
Van Dijk, F.A.; Dymanus, A., Hyperfine structure of the rotational spectrum of HI in the submillimeter region, Chem. Phys. Lett., 1968, 2, 235. [all data]

van Dijk and Dymanus, 1970
van Dijk, F.A.; Dymanus, A., The electric dipole moment of HI and HBr, Chem. Phys. Lett., 1970, 5, 387. [all data]

Chamberlain and Gebbie, 1965
Chamberlain, J.E.; Gebbie, H.A., Sub-millimetre dispersion and rotational line strengths of the hydrogen halides, Nature (London), 1965, 208, 480. [all data]


Notes

Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References