Hydrogen bromide

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Constants of diatomic molecules

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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: Klaus P. Huber and Gerhard H. Herzberg

Data collected through December, 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 H81Br
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
Numerous absorption bands above 11400 cm-1, tentatively assigned to higher members of two Rydberg series starting with L and M and converging to A 2Σ+ of Hbr+; I.P.[A 2Σ+, v=0]=123373 cm-1 (15.2964 eV).
M (1Σ+) (109473) [1308] 1         M ← X 108814
missing citation
L (1Σ+, 1Π) (104201) [1262] 2         L ← X 103519
missing citation
3           
Barrow and Stamper, 1961; Stamper, 1962
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
K 6 1 (83902) (2518) 4   [8.195]   [22.0E-4]  [1.4375] K ← X R 83847.9 5 Z
Stamper, 1962
J 6 1 (81243) (2502) 4   [8.027] 7   [3.61E-4]  [1.453] J ← X R 81180.7 8 Z
missing citation
I 6 1 80436 (2525) 4   [8.169] 9   [10.4E-4]  [1.440] I ← X R 80385.6 10 Z
missing citation
g (3Σ-)0+ (79253.2) 11    [7.63] 12   -17E-4  [1.49] g ← X R 77940.0 Z
missing citation; missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
F 1Δ (78322.3) 11    [8.20]     [1.437] F ← X R 77009.1 Z
missing citation
f1 3Δ1 (76814) 11 [2299.7] Z   8.027 0.213    1.453 f1 ← X R 76650.9 Z
Barrow and Stamper, 1961; missing citation
D 1Π (76310) 13 [2405.5] Z   8.125 0.21    1.444 D ← X R 76199.4 Z
missing citation; missing citation
d0 3Π0 (76193) [2418.5] Z   [7.624] 14 (0.32)    [1.4904] d0 ← X R 76088.8 Z
Barrow and Stamper, 1961; missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
E (3Σ+)0+ (76691) 11    [7.34] 15     [1.519] E ← X R 75378
Ginter and Tilford, 1971
V 1Σ+ (75800) 16 (790) 17         V ↔ X 18 R (74900)
Stamper and Barrow, 1961; missing citation
f2 3Δ2 [75533.8] 11    [8.675] 19   [16.5E-4] 19  [1.397] 5 f2 ← X R 74220.6 Z
Barrow and Stamper, 1961; missing citation
f3 3Δ3 [75403.1] 11 20    [7.41]   [-7.6E-4]  [1.512] 5 f3 ← X R 74089.9 Z
missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
e 3Σ+ [75053] 11 21          e ← X R 73740
Ginter and Tilford, 1971
d1 3Π1 [74855] 13 22          d1 ← X R 73542
Barrow and Stamper, 1961; Ginter and Tilford, 1971
d2 3Π2 [74753] 13 22          d2 ← X R 73440
Barrow and Stamper, 1961; Ginter and Tilford, 1971
C 1Π 70578 23 2552 Z 52  7.89 0.30    1.465 C ← X 24 R 70527.6 Z
Barrow and Stamper, 1961; missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
b0 3Π0 0+ (68998) 23 [2452]   [7.996] 25     [1.455] b0 ← X R 68911.2 Z
Barrow and Stamper, 1961; missing citation
b0 3Π0 0-           b0 ← X R 68904 26 H
Barrow and Stamper, 1961; missing citation
b1 3Π1 (67180) 23 [2444.2] Z   8.148 25 0.292    1.442 b1 ← X R 67088.4 Z
missing citation; missing citation
b2 3Π2 [67663.0] 23    [7.805] 25     [1.473] b2 ← X R 66349.8 Z
Barrow and Stamper, 1961; missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
A (1Π) 28 27          A ← X 
Bates, Halford, et al., 1935; Goodeve and Taylor, 1935; Datta and Chakravarty, 1941; Romand, 1949; Huebert and Martin, 1968
X 1Σ+ 0 2648.975 29 Z 45.2175 30 -0.0029 8.464884 X 0.23328 31  3.4575E-4 32  1.414435 33  
Rank, Fink, et al., 1965
Rotation spectrum 34 35
Hansler and Oetjen, 1953; Jones and Gordy, 1964; Van Dijk and Dymanus, 1969
Raman sp. 36
Cherlow, Hyatt, et al., 1975
Mol. beam el. reson. 37
Dabbousi, Meerts, et al., 1973

Notes

1v=0...4 observed. Assigned as 4pσ4pπ4 6sσ. 40
2v=0...3 observed. Assigned as 4pσ4pπ4 5pσ and/or 5pπ. 40
3Further absorption bands of doubtful assignment between 75200 and 83600 cm-1.
4From the observed HBr-DBr isotope shift assuming that the observed bands are 0-0 bands.
5Band [37] of Stamper, 1962.
6I, J, K correspond to absorption bands with clear analogues in DBr.
7Ω-type doubling, Δνef = +0.142J(J+1)- ...; B and D represent average values.
8Band [28] of Barrow and Stamper, 1961. Sharp P, Q, R branches; the Q levels appear to be predissociated for J«gte»14.
9missing note
10Band [26] of Barrow and Stamper, 1961.
11Configuration ... σ2π3 5pπ.
12Perturbed at high J.
13Configuration ... σ2π3 5pσ.
14Slightly diffuse lines.
15Perturbed.
16Derived from H+ + Br-; configuration ... σπ4σ*.
17Bands in emission above 46500 cm-1, in absorption above 75700. Incomplete analysis.
18Heavily perturbed extensive band system. Absorption lines above 75923 cm-1 are diffuse. B' varies irregularly between 3.4 and 4.5 cm-1.
19Average values for the two Ω-type doubling components.
20Weak transition.
21Very diffuse, unresolved band.
22Diffuse band, rotational structure unresolved.
23Configuration ... σ2π3 5sσ.
24Very strong absorption, lines are diffuse.
25Diffuse rotational structure.
26Diffuse Q head.
27Continous absorption statring at ~35000 with maximum at 56400 cm-1.
28Configuration ... σ2π3 σ*.
29These are Y10 and Y01 values; applying Dunham corrections Rank, Fink, et al., 1965 obtain we = 2649.215, Be = 8.465065. Additional corrections (adiabatic, non-adiabatic) are discussed by Bunker, 1972. The microwave B0 values of Jones and Gordy, 1964 was included in the evaluation of Be. See also 42 37
30missing note
31+0.0008735(v+1/2)2 - 0.000120(v+1/2)3.
32-0.0397E-4(v+1/2) + 0.0038(v+1/2)2; Hv = 7.63E-9 - 0.55E-9(v+1/2).
33Rot.-vibr. Sp. 42 35
34Absolute intensities have been measured by Chamberlain and Gebbie, 1965.
35For observations and measurements of pressure-induced bands and pure rotation lines (ΔJ=2) see Atwood, Vu, et al., 1967, Weiss and Cole, 1967. The pressure broadening of the lines has been studied by Babrov, 1964, Pourcin, Bachet, et al., 1967.
36Raman cross sections in gaseous HBr.
37The following constants (as well as corresponding values for H79Br) are given in Dabbousi, Meerts, et al., 1973: -μel(v=0,J=1) = 0.8265 D [in a later paper van Dijk and Dymanus, 1974 derive 0.8282 D from Stark effect of rotation spectrum]; -quadrupole and other hyperfine coupling constants; -gJ = 0.3712. These constants supersede earlier values of Schurin and Rollefson, 1957, Jones and Gordy, 1964, Tokuhiro, 1967, Van Dijk and Dymanus, 1969, van Dijk and Dymanus, 1970.
38From D00(H2), D00(Br2), and ΔHf0 (HBr;from gaseous H2,Br2).
39Average value from photoionization Watanabe, 1957 and photoelectron spectra Frost, McDowell, et al., 1967, Lempka, Passmore, et al., 1968; refers to X 2Π3/2 of the ion. A more recent paper Delwiche, Natalis, et al., 1972 gives 11.645 eV.
40Strongly broadened by preionization; estimated lifetime against preionization 9.5E-15 s Terwilliger and Smith, 1975.
41From R, P branches. Δνef = -0.04lJ(J+1).
42In absorption the 1-0, 2-0, 3-0, 3-1, 4-0, 5-0, 6-0 bands have been studied Naude and Verleger, 1950, Thompson, Williams, et al., 1952, Plyler, 1960, Rank, Fink, et al., 1965, Bernage, Niay, et al., 1973; in emission 1-0, 2-1, 3-2, 4-3 Mould, Price, et al., 1960, James and Thibault, 1965. The constants in the table are from Rank, Fink, et al., 1965, those of James and Thibault, 1965, Bernage, Niay, et al., 1973 are very similar and of comparable accuracy. See also Ogilvie and Koo, 1976. Absolute intensities have been measured Babrov, 1964, Babrov, Shabott, et al., 1965, Rao and Lindquist, 1968, Gustafson and Rao, 1970 and the dipole moment function has been calculated; Urquhart, Clark, et al., 1972 give for H79Br[D, ]: μel(r) = +0.788 + 0.315(r-re) + 0.575(r-re)2; see also Jacobi, 1967, Tipping and Herman, 1970, Rao, 1971.

References

Go To: Top, 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.

Barrow and Stamper, 1961
Barrow, R.F.; Stamper, J.G., The absorption spectrum of gaseous hydrogen bromide in the Schumann region. I. Rotational analysis, Proc. R. Soc. London A, 1961, 263, 259. [all data]

Stamper, 1962
Stamper, J.G., The absorption spectrum of DBr in the vacuum ultraviolet region, Can. J. Phys., 1962, 40, 1279. [all data]

Ginter and Tilford, 1971
Ginter, M.L.; Tilford, S.G., Electronic spectra and structure of the hydrogen halides. States associated with the (σ2π3)cπ and (σ2π3) cσ configurations of HBr and DBr, J. Mol. Spectrosc., 1971, 37, 159. [all data]

Stamper and Barrow, 1961
Stamper, J.G.; Barrow, R.F., The V(1Σ+)-N(1Σ+) transition of hydrogen bromide, J. Phys. Chem., 1961, 65, 250. [all data]

Bates, Halford, et al., 1935
Bates, J.R.; Halford, J.O.; Anderson, L.C., A comparison of some physical properties of hydrogen and deuterium bromides, J. Chem. Phys., 1935, 3, 531. [all data]

Goodeve and Taylor, 1935
Goodeve, C.F.; Taylor, A.W.C., The continuous absorption spectrum of hydrogen bromide, Proc. R. Soc. London A, 1935, 152, 221. [all data]

Datta and Chakravarty, 1941
Datta, S.; Chakravarty, B., The continuous absorption spectra of the hydrogen-halides. Part I - HBr, Proc. Natl. Inst. Sci. India, 1941, 7, 297. [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]

Rank, Fink, et al., 1965
Rank, D.H.; Fink, U.; Wiggins, T.A., High resolution measurements on the infrared absorption spectrum of HBr, J. Mol. Spectrosc., 1965, 18, 170. [all data]

Hansler and Oetjen, 1953
Hansler, R.L.; Oetjen, R.A., The infrared spectra of HCl, DCl, HBr, and NH3 in the region from 40 to 140 microns, J. Chem. Phys., 1953, 21, 1340. [all data]

Jones and Gordy, 1964
Jones, G.; Gordy, W., Submillimeter-wave spectra of HCl and HBr, Phys. Rev., 1964, 136, 1229. [all data]

Van Dijk and Dymanus, 1969
Van Dijk, F.A.; Dymanus, A., Hyperfine structure of the rotational spectrum of HBr and in the submillimeter wave region, Chem. Phys. Lett., 1969, 4, 170. [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]

Dabbousi, Meerts, et al., 1973
Dabbousi, O.B.; Meerts, W.L.; de Leeuw, F.H.; Dymanus, A., Stark-Zeeman hyperfine structure of H79Br and H81Br by molecular-beam electric-resonance spectroscopy, Chem. Phys., 1973, 2, 473. [all data]

Bunker, 1972
Bunker, P.R., On the breakdown of the Born-Oppenheimer approximation for a diatomic molecule, J. Mol. Spectrosc., 1972, 5, 478. [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]

Atwood, Vu, et al., 1967
Atwood, M.R.; Vu, H.; Vodar, B., Forme et structures fines de la bande induite par la pression dans la bande fondamentale de vibration-rotation des molecules HF, HCl et HBr, Spectrochim. Acta, 1967, 23, 553. [all data]

Weiss and Cole, 1967
Weiss, S.; Cole, R.H., Pressure-induced rotational quadrupole spectra of HCl and HBr, J. Chem. Phys., 1967, 46, 644. [all data]

Babrov, 1964
Babrov, H.J., Strengths and self-broadened widths of the lines of the hydrogen bromide fundamental band, J. Chem. Phys., 1964, 40, 831. [all data]

Pourcin, Bachet, et al., 1967
Pourcin, J.; Bachet, G.; Coulon, R., Possibilite d'une absorption non resonnante induite dans le spectre de rotation pure de HBr gazeux perturbe par des gaz comprimes, C.R. Acad. Sci. Paris, Ser. B, 1967, 264, 975. [all data]

van Dijk and Dymanus, 1974
van Dijk, F.A.; Dymanus, A., Hyperfine and Stark spectrum of DBr in the millimeter-wave region, Chem. Phys., 1974, 6, 474. [all data]

Schurin and Rollefson, 1957
Schurin, B.; Rollefson, R., Infrared dispersion of hydrogen bromide, J. Chem. Phys., 1957, 26, 1089. [all data]

Tokuhiro, 1967
Tokuhiro, T., Vibrational and rotational effects on the nuclear quadrupole coupling constants in hydrogen, deuterium, and tritium halides, J. Chem. Phys., 1967, 47, 109. [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]

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

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]

Delwiche, Natalis, et al., 1972
Delwiche, J.; Natalis, P.; Momigny, J.; Collin, J.E., On the photoelectron spectra of HBr and DBr, J. Electron Spectrosc. Relat. Phenom., 1972, 1, 219. [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]

Naude and Verleger, 1950
Naude, S.M.; Verleger, H., The vibration-rotation bands of the hydrogen halides HF, H35Cl, H37Cl, H79Br, H81Br and H127I, Proc. Phys. Soc. London Sect. A, 1950, 63, 470. [all data]

Thompson, Williams, et al., 1952
Thompson, H.W.; Williams, R.L.; Callomon, H.J., The fundamental vibration band of hydrogen bromide, Spectrochim. Acta, 1952, 5, 313. [all data]

Plyler, 1960
Plyler, E.K., Infrared spectrum of hydrobromic aid, J. Res. Nat. Bur. Stand. Sect. A, 1960, 64, 377. [all data]

Bernage, Niay, et al., 1973
Bernage, P.; Niay, P.; Bocquet, H.; Houdart, R., Etude des bandes d'absorption infrarouges v0-3, v0-4, v0-5 de l'acide bromhydrique gazeux a l'aide d'un spectrometre sisam, Rev. Phys. Appl., 1973, 8, 333. [all data]

Mould, Price, et al., 1960
Mould, H.M.; Price, W.C.; Wilkinson, G.R., Infra-red emission from gases excited by a radio-frequency discharge, Spectrochim. Acta, 1960, 16, 479. [all data]

James and Thibault, 1965
James, T.C.; Thibault, R.J., Infrared-emission spectrum of HBr excited in an electric discharge. Determination of molecular constants, J. Chem. Phys., 1965, 42, 1450. [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]

Babrov, Shabott, et al., 1965
Babrov, H.J.; Shabott, A.L.; Rao, B.S., Matrix elements for vibration-rotation transitions in the HBr overtone and hot bands, J. Chem. Phys., 1965, 42, 4124. [all data]

Rao and Lindquist, 1968
Rao, B.S.; Lindquist, L.H., Dipole matrix elements for vibration-rotation lines in the 2-0 band of the hydrogen bromide molecule, Can. J. Phys., 1968, 46, 2739. [all data]

Gustafson and Rao, 1970
Gustafson, B.P.; Rao, B.S., Dipole matrix elements for vibration-rotation lines in the fundamental band of the hydrogen bromide molecule, Can. J. Phys., 1970, 48, 330. [all data]

Urquhart, Clark, et al., 1972
Urquhart, D.N.; Clark, T.D.; Rao, B.S., The dipole moment function of H79Br molecule, Z. Naturforsch. A, 1972, 27, 1563. [all data]

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

Tipping and Herman, 1970
Tipping, R.H.; Herman, R.M., Line intensities in HBr vibration-rotation spectra, J. Mol. Spectrosc., 1970, 36, 404. [all data]

Rao, 1971
Rao, B.S., Vibration-rotation band strengths and dipole moment function of the H79Br molecule, J. Phys. B:, 1971, 4, 791. [all data]


Notes

Go To: Top, Constants of diatomic molecules, References