deuterium bromide
- Formula: BrD
- Molecular weight: 81.918
- CAS Registry Number: 13536-59-9
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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 ± 0.005 | PE | Delwiche, 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
Symbol | Meaning |
---|---|
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) |
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
Numerous absorption bands above 114000 cm-1; see HBr. | ||||||||||||
↳Terwilliger and Smith, 1974 | ||||||||||||
M (1Σ+) | (109374) | [1000] 1 | M ← X | 108937 | ||||||||
↳missing citation | ||||||||||||
L (1Σ+, 1Π) | (104141) | [971] 2 | L ← X | (103690) | ||||||||
↳missing citation | ||||||||||||
Further absorption bands of doubtful assignment between 72000 and 83800 cm-1. | ||||||||||||
↳Stamper, 1962 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
K 1 | (83908) 3 | (1792) 4 | [4.121] 5 | [0.80E-04] | [1.4428] | K ← X R | 83867.1 6 Z | |||||
↳Stamper, 1962 | ||||||||||||
J 1 | (81248) 3 | (1781) 4 | [4.083] 7 | [1.36E-4] | [1.4495] | J ← X R | 81202.2 6 Z | |||||
↳missing citation | ||||||||||||
I 1 | (80442) 3 | (1797) 4 | [4.107] | [1.38E-4] | [1.4452] | I ← X R | 80403.8 6 Z | |||||
↳Stamper, 1962 | ||||||||||||
g (3Σ-)0+ | (78125) | [1440.6] Z | [3.79] | (0.40) 8 | [14E-4] | [1.504] | g ← X R | 77908.8 Z | ||||
↳Stamper, 1962; Ginter and Tilford, 1971 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
F 1Δ | [77989.0] | [4.095] | [1.4473] | F ← X R | 77052.3 Z | |||||||
↳Stamper, 1962; Ginter and Tilford, 1971 | ||||||||||||
f1 3Δ1 | (76787) | [1657.3] Z | 4.064 | 0.076 | 1.453 | f1 ← X R | 76679.2 Z | |||||
↳Stamper, 1962; Ginter and Tilford, 1971 | ||||||||||||
D 1Π | (76280) | [1732.6] Z | 4.128 $I | 0.076 | 1.4415 | D ← X R | 76209.1 Z | |||||
↳Stamper, 1962; missing citation | ||||||||||||
d0 3Π0 | [77027.4] | [3.993] 9 | [1.466] | d0 ← X R | 76090.7 Z | |||||||
↳missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
E (3Σ+)0+ | (75682) | [1365] Z | [3.953] | (0.78) 8 | [1.4729] | E ← X R | 75428.1 Z | |||||
↳Stamper, 1962; Ginter and Tilford, 1971 | ||||||||||||
V 1Σ+ 10 | V ← X R | |||||||||||
↳Ginter and Tilford, 1971 | ||||||||||||
f2 3Δ2 | (74370) | [1660.3] Z | 4.294 | 0.097 | [2.4E-4] | 1.413 | f2 ← X R | 74263.1 Z | ||||
↳Stamper, 1962; missing citation | ||||||||||||
f3 3Δ3 | [75088.6] 11 | [3.83] | [-2.1E-4] | [1.497] | f3 ← X R | 74151.9 Z | ||||||
↳missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
e 3Σ+ | [74677] 12 | e ← X | 73740 | |||||||||
↳Ginter and Tilford, 1971 | ||||||||||||
d1 3Π1 | [74499] 13 | d1 ← X R | 73562 | |||||||||
↳Stamper, 1962; Ginter and Tilford, 1971 | ||||||||||||
d2 3Π2 | [74391.5] | [3.906] 14 | [0.36E-4] | [1.482] | d2 ← X R | 73454.8 Z | ||||||
↳Stamper, 1962; missing citation | ||||||||||||
C 1Π | 70563 | 1811.2 Z | 25.5 | 4.02 15 | 0.105 | 1.461 | C ← X R | (70501) HQ | ||||
↳Stamper, 1962; missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
b0 3Π0 0+ | [69837.1] | [4.082] 16 | [1.450] | b0 ← X R | 68900.4 Z | |||||||
↳missing citation; missing citation | ||||||||||||
b0 3Π0 0- | [69832] 17 | b0 ← X R | (68895) | |||||||||
↳missing citation; missing citation | ||||||||||||
b1 3Π1 | 67113.9 | 1814 Z | 27 | 4.10 18 | 0.09 | 1.446 | b1 ← X R | 67077.5 Z | ||||
↳Stamper, 1962; Ginter and Tilford, 1970 | ||||||||||||
b2 3Π2 | [67290.7] | [4.018] 16 | [1.461] | b2 ← X R | 66354.0 Z | |||||||
↳Stamper, 1962; Ginter and Tilford, 1970 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
A (1Π) 19 | A ← X | |||||||||||
↳Bates, Halford, et al., 1935 | ||||||||||||
X 1Σ+ | 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
1 | v=0...5 observed, see HBr |
2 | v=0...4 observed, see HBr |
3 | I, J, K correspond to absorption bands with clear analogues in DBr. |
4 | From the observed HBr-DBr isotope shift assuming that the observed bands are 0-0 bands. |
5 | Ω-type doubling, Δνef ~ +0.0371J(J+1). |
6 | Bands {35},{27},{26} of Stamper, 1962. |
7 | Ω-type doubling, Δνef = +0.0314J(J+l). |
8 | v=0 and 1 only; v=1 is perturbed. |
9 | From P, R branches. B0(Q) = 3.926. |
10 | Extensive absorption system above 75700 cm-1, incompletely analyzed because of strong perturbations. Bv values range from 1.68 to 2.12. |
11 | Weak transition. |
12 | Very diffuse, unresolved band. |
13 | Diffuse band, rotational structure unresolved. |
14 | Branches are slightly diffuse. |
15 | Diffuse rotational structure; v=0...4. |
16 | Slightly diffuse lines. |
17 | Unresolved Q branch, assignment uncertain. |
18 | v=2,3 diffuse. Slightly diffuse lines for v=0,1. |
19 | Continuous absorption beginning at ~39000 cm-1. |
20 | missing note |
21 | Microwave value De Lucia, Helminger, et al., 1971, van Dijk and Dymanus, 1974. |
22 | Rot.-vibr. Sp. 27 |
23 | μel(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. |
24 | From D00(HBr). |
25 | From the photoelectron spectrum Delwiche, Natalis, et al., 1972 of the isotopic mixture. |
26 | From P, R branches. B0(Q) = 4.109. |
27 | 1-0, 2-0, 3-0 bands in absorption Keller and Nielsen, 1954, Δv=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 (σ2π3)cπ and (σ2π3) cσ 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 b3Πi and C1Π 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
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