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deuterium bromide

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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 compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference
11.673 ± 0.005PEDelwiche, Natalis, et al., 1973

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 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 D81Br
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
Numerous absorption bands above 114000 cm-1; see HBr.
Terwilliger and Smith, 1974
M (1Sigma+) (109374) [1000] 1         M larrow X 108937
missing citation
L (1Sigma+, 1Pi) (104141) [971] 2         L larrow X (103690)
missing citation
Further absorption bands of doubtful assignment between 72000 and 83800 cm-1.
Stamper, 1962
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
K 1 (83908) 3 (1792) 4   [4.121] 5   [0.80E-04]  [1.4428] K larrow X R 83867.1 6 Z
Stamper, 1962
J 1 (81248) 3 (1781) 4   [4.083] 7   [1.36E-4]  [1.4495] J larrow X R 81202.2 6 Z
missing citation
I 1 (80442) 3 (1797) 4   [4.107]   [1.38E-4]  [1.4452] I larrow X R 80403.8 6 Z
Stamper, 1962
g (3Sigma-)0+ (78125) [1440.6] Z   [3.79] (0.40) 8  [14E-4]  [1.504] g larrow X R 77908.8 Z
Stamper, 1962; Ginter and Tilford, 1971
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
F 1Delta [77989.0]    [4.095]     [1.4473] F larrow X R 77052.3 Z
Stamper, 1962; Ginter and Tilford, 1971
f1 3Delta1 (76787) [1657.3] Z   4.064 0.076    1.453 f1 larrow X R 76679.2 Z
Stamper, 1962; Ginter and Tilford, 1971
D 1Pi (76280) [1732.6] Z   4.128 $I 0.076    1.4415 D larrow X R 76209.1 Z
Stamper, 1962; missing citation
d0 3Pi0 [77027.4]    [3.993] 9     [1.466] d0 larrow X R 76090.7 Z
missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
E (3Sigma+)0+ (75682) [1365] Z   [3.953] (0.78) 8    [1.4729] E larrow X R 75428.1 Z
Stamper, 1962; Ginter and Tilford, 1971
V 1Sigma+ 10           V larrow X R 
Ginter and Tilford, 1971
f2 3Delta2 (74370) [1660.3] Z   4.294 0.097  [2.4E-4]  1.413 f2 larrow X R 74263.1 Z
Stamper, 1962; missing citation
f3 3Delta3 [75088.6] 11    [3.83]   [-2.1E-4]  [1.497] f3 larrow X R 74151.9 Z
missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
e 3Sigma+ [74677] 12          e larrow X 73740
Ginter and Tilford, 1971
d1 3Pi1 [74499] 13          d1 larrow X R 73562
Stamper, 1962; Ginter and Tilford, 1971
d2 3Pi2 [74391.5]    [3.906] 14   [0.36E-4]  [1.482] d2 larrow X R 73454.8 Z
Stamper, 1962; missing citation
C 1Pi 70563 1811.2 Z 25.5  4.02 15 0.105    1.461 C larrow X R (70501) HQ
Stamper, 1962; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
b0 3Pi0 0+ [69837.1]    [4.082] 16     [1.450] b0 larrow X R 68900.4 Z
missing citation; missing citation
b0 3Pi0 0- [69832] 17          b0 larrow X R (68895)
missing citation; missing citation
b1 3Pi1 67113.9 1814 Z 27  4.10 18 0.09    1.446 b1 larrow X R 67077.5 Z
Stamper, 1962; Ginter and Tilford, 1970
b2 3Pi2 [67290.7]    [4.018] 16     [1.461] b2 larrow X R 66354.0 Z
Stamper, 1962; Ginter and Tilford, 1970
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A (1Pi) 19           A larrow X 
Bates, Halford, et al., 1935
X 1Sigma+ 0 1884.75 Z 22.718 20 -0.0106 [4.245596] 21 0.0838  [0.8832E-4] 21  1.4145 22  
Keller and Nielsen, 1954; Mould, Price, et al., 1960
Rotation spectrum 23
Palik, 1955; Cowan and Gordy, 1958; De Lucia, Helminger, et al., 1971; van Dijk and Dymanus, 1974

Notes

1v=0...5 observed, see HBr
2v=0...4 observed, see HBr
3I, J, K correspond to absorption bands with clear analogues in DBr.
4From the observed HBr-DBr isotope shift assuming that the observed bands are 0-0 bands.
5Omega-type doubling, Deltanuef ~ +0.0371J(J+1).
6Bands {35},{27},{26} of Stamper, 1962.
7Omega-type doubling, Deltanuef = +0.0314J(J+l).
8v=0 and 1 only; v=1 is perturbed.
9From P, R branches. B0(Q) = 3.926.
10Extensive absorption system above 75700 cm-1, incompletely analyzed because of strong perturbations. Bv values range from 1.68 to 2.12.
11Weak transition.
12Very diffuse, unresolved band.
13Diffuse band, rotational structure unresolved.
14Branches are slightly diffuse.
15Diffuse rotational structure; v=0...4.
16Slightly diffuse lines.
17Unresolved Q branch, assignment uncertain.
18v=2,3 diffuse. Slightly diffuse lines for v=0,1.
19Continuous absorption beginning at ~39000 cm-1.
20missing note
21Microwave value De Lucia, Helminger, et al., 1971, van Dijk and Dymanus, 1974.
22Rot.-vibr. Sp. 27
23muel(v=0) = 0.8233 D van Dijk and Dymanus, 1974 from Stark effect of 1-0 line van Dijk and Dymanus, 1974. Quadrupole and other hyperfine coupling const. Tokuhiro, 1967, De Lucia, Helminger, et al., 1971, van Dijk and Dymanus, 1974.
24From D00(HBr).
25From the photoelectron spectrum Delwiche, Natalis, et al., 1972 of the isotopic mixture.
26From P, R branches. B0(Q) = 4.109.
271-0, 2-0, 3-0 bands in absorption Keller and Nielsen, 1954, Deltav=l sequence in emission Mould, Price, et al., 1960.

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.

Delwiche, Natalis, et al., 1973
Delwiche, J.; Natalis, P.; Momigny, J.; Collin, J.E., On the photoelectron spectra of HBr DBr, J. Electron Spectrosc. Relat. Phenom., 1973, 1, 219. [all data]

Terwilliger and Smith, 1974
Terwilliger, D.T.; Smith, A.L., Analysis of autoionizing Rydberg states in the vacuum ultraviolet absorption spectrum of HBr and DBr, J. Mol. Spectrosc., 1974, 50, 30. [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 («sigma»2«pi»3)c«pi» and («sigma»2«pi»3) c«sigma» configurations of HBr and DBr, J. Mol. Spectrosc., 1971, 37, 159. [all data]

Ginter and Tilford, 1970
Ginter, M.L.; Tilford, S.G., Electronic spectra and structure of the hydrogen halides. The b3«PI»i and C1«PI» states of HBr and DBr, J. Mol. Spectrosc., 1970, 34, 206. [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]

Keller and Nielsen, 1954
Keller, F.L.; Nielsen, A.H., The infrared spectrum and molecular constants of DBr, J. Chem. Phys., 1954, 22, 294. [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]

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, 1958
Cowan, M.; Gordy, W., Precision measurements of millimeter and submillimeter wave spectra: DCl, DBr, and DI, Phys. Rev., 1958, 111, 209. [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]

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]

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]

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]


Notes

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