sodium 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 March, 1977

Symbols used in the table of constants
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 23Na79Br
The electron energy loss spectrum has peaks at 5.2, 7.1, 8.8, (20.0), 31.0 eV.
Geiger and Pfeiffer, 1968
Continuous absorption above ~30000 cm-1 with maximum near 35500 and 40000 cm -1. 1 2
A 3           A lrarrow X 
Muller, 1927; Beutler and Josephy, 1929; Levi, 1934
X 1Sigma+ 0 302.1 4 (Z) (1.50)  0.15125331 0.00094095 0.00000243 1.5535E-7 -0.0050E-7 2.502038 5  
Rice and Klemperer, 1957
Rotation sp.
Honig, Mandel, et al., 1954; Rusk and Gordy, 1962
Mol. beam electric reson. 6
Hebert, Lovas, et al., 1968
Mol. beam magnetic reson.
Nierenberg and Ramsey, 1947; Logan, Cote, et al., 1952; Cote and Kusch, 1953


1UV absorption cross sections Davidovits and Brodhead, 1967; Absorption at higher energies produces fluorescence from Na (3p 2P), maximum efficiency at 50500 cm-1 Earl and Herm, 1974.
2The absorption spectrum of NaBr trapped in inert gas matrices shows band structure at v > 32300 cm-1; under certain conditions as many as 16 peaks have been observed with spacings of approximately 453 and 523 cm-1 in Ar, 529 in Kr, and 472 in N2 Oppenheimer and Berry, 1971.
3Diffuse absorption bands from 28800 to 22600 cm-1; in emission continua and diffuse bands from 31000 to 17000 cm-1.
4From the IR spectrum Rice and Klemperer, 1957; we = 298.49 and wexe = 1.16 have been calculated by Rusk and Gordy, 1962 from the microwave results using Dunham's theory.
5Rot.-vibr. Sp.
6muel[D] = 9.0918 + 0.0531(v + 1/2), v leq 2 Hebert, Lovas, et al., 1968. Melendres, 1968, quoted in Miller, Finney, et al., 1973, gives eqQ values and their dependence on v.
7Thermochemical value [ Brewer and Brackett, 1961, Stull and Prophet, 1971; flame photometry, Bulewicz, Phillips, et al., 1961].
8Onset of a broad photoelectron peak with maximum at 8.80 eV, not corrected for thermal population of ground state levels Potts, Williams, et al., 1974. See also Goodman, Allen, et al., 1974.
9From D00(NaBr) + I.P.(Na) - I.P.(NaBr). Potts, Williams, et al., 1974 give 0.49 eV using a corrected value of I.P.(NaBr).
10From band maxima in the photoelectron spectrum Goodman, Allen, et al., 1974, Potts, Williams, et al., 1974.


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

Geiger and Pfeiffer, 1968
Geiger, J.; Pfeiffer, H.-C., Untersuchung der Anregung innerer Elektronen von Alkalihalogenidmolekulen im Energieverlustspektrum von 25 keV-Elektronen, Z. Phys., 1968, 208, 105. [all data]

Muller, 1927
Muller, L.A., 4. absorptionsspektren der alkalihalogenide in wasseriger losung und im dampf, Ann. Phys. (Leipzig), 1927, 82, 39. [all data]

Beutler and Josephy, 1929
Beutler, H.; Josephy, B., Resonanz bei Stoben in der fluoreszenz und chemilumineszenz, Z. Phys., 1929, 53, 747. [all data]

Levi, 1934
Levi, Dissertation, Berlin, 1934, 0. [all data]

Rice and Klemperer, 1957
Rice, S.A.; Klemperer, W., Spectra of the alkali halides. II. The infrared spectra of the sodium and potassium halides, RbCl, and CsCl, J. Chem. Phys., 1957, 27, 573. [all data]

Honig, Mandel, et al., 1954
Honig, A.; Mandel, M.; Stitch, M.L.; Townes, C.H., Microwave spectra of the alkali halides, Phys. Rev., 1954, 96, 629. [all data]

Rusk and Gordy, 1962
Rusk, J.R.; Gordy, W., Millimeter wave molecular beam spectroscopy: alkali bromides and iodides, Phys. Rev., 1962, 127, 817. [all data]

Hebert, Lovas, et al., 1968
Hebert, A.J.; Lovas, F.J.; Melendres, C.A.; Hollowell, C.D.; Story, T.L., Jr.; Street, K., Jr., Dipole moments of some alkali halide molecules by the molecular beam electric resonance method, J. Chem. Phys., 1968, 48, 2824. [all data]

Nierenberg and Ramsey, 1947
Nierenberg, W.A.; Ramsey, N.F., The radiofrequency spectra of the sodium halides, Phys. Rev., 1947, 72, 1075. [all data]

Logan, Cote, et al., 1952
Logan, R.A.; Cote, R.E.; Kusch, P., The sign of the quadrupole interaction energy in diatomic molecules, Phys. Rev., 1952, 86, 280. [all data]

Cote and Kusch, 1953
Cote, R.E.; Kusch, P., Low frequency resonances in the spectra of diatomic molecules, Phys. Rev., 1953, 90, 103. [all data]

Davidovits and Brodhead, 1967
Davidovits, P.; Brodhead, D.C., Ultraviolet absorption cross sections for the alkali halide vapors, J. Chem. Phys., 1967, 46, 2968. [all data]

Earl and Herm, 1974
Earl, B.L.; Herm, R.R., Photodissociation of NaBr, Nal, and Kl vapors and collisional quenching of Na* (32P), K* (42P), and K* (52P) by foreign gases, J. Chem. Phys., 1974, 60, 4568. [all data]

Oppenheimer and Berry, 1971
Oppenheimer, M.; Berry, R.S., Ultraviolet spectra of alkali halides in inert matrices, J. Chem. Phys., 1971, 54, 5058. [all data]

Melendres, 1968
Melendres, Thesis, University of California, California, 1968, 1. [all data]

Miller, Finney, et al., 1973
Miller, C.E.; Finney, A.A.; Inman, F.W., Rotational and hyperfine structure constants for groups IA and IIIA monohalide and monohydride molecules, At. Data, 1973, 5, 1. [all data]

Brewer and Brackett, 1961
Brewer, L.; Brackett, E., The dissociation energies of gaseous alkali halides, Chem. Rev., 1961, 61, 425. [all data]

Stull and Prophet, 1971
Stull, D.R.; Prophet, H., JANAF Thermochemical Tables. Second Edition, Office of SRD (NSRDS-NBS 37), Washington, D.C., 1971, 0. [all data]

Bulewicz, Phillips, et al., 1961
Bulewicz, E.M.; Phillips, L.F.; Sugden, T.M., Determination of dissociation constants and heats of formation of simple molecules by flame photometry. Part 8. Stabilities of the gaseous diatomic halides of certain metals, Trans. Faraday Soc., 1961, 57, 921. [all data]

Potts, Williams, et al., 1974
Potts, A.W.; Williams, T.A.; Price, W.C., Photoelectron spectra and electronic structure of diatomic alkali halides, Proc. Roy. Soc. London A, 1974, 341, 147. [all data]

Goodman, Allen, et al., 1974
Goodman, T.D.; Allen, J.D., Jr.; Cusachs, L.C.; Schweitzer, G.K., The photoelectron spectra of gaseous alkali halides, J. Electron Spectrosc. Relat. Phenom., 1974, 3, 289. [all data]


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