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potassium 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 January, 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 39K79Br
Twopeaks in the elctron energy loss spectrum at 19.7 and 23.7 eV Geiger and Pfeiffer, 1968 may be associated with an excitation of an electron from the metal 3p shell of K+ Br-.
Continuous absorption above 31000 cm-1, maxima at 36000, 39300, 47600 cm-1. 1
Muller, 1927; Levi, 1934
A 2           A lrarrow X 
Beutler and Josephy, 1929; Sommermeyer, 1929; Levi, 1934; Barrow and Caunt, 1953; Oldenborg, Gole, et al., 1974; Kaufmann, Kinsey, et al., 1974
X 1Sigma+ 0 213 3 (0.80)  0.08122109 0.00040481 7.7E-7 4.4619E-8 -2E-12 2.82078 4  
Rice and Klemperer, 1957
Rotation sp.
Fabricand, Carlson, et al., 1953; Rusk and Gordy, 1962
Mol. beam rf el. reson. 5
Van Wachem, De Leeuw, et al., 1967; de Leeuw, van Wachem, et al., 1969


1Absorption cross sections Davidovits and Brodhead, 1967. The electron energy loss spectrum Geiger and Pfeiffer, 1968 has peaks at 37000, 52000, 63000 cm-1.
2Diffuse absorption bands, 25000 - 31000 cm-1. 8 The chemiluminescence spectrum (gas - beam, or flame) consists of a long ground-state vibrational progression stretching from 17500 to 31500 cm-1, the onsets and cutoffs depending on the prevailing conditions of the experiment. 8
3From the IR spectrum. The Dunham theory applied to the microwave results gives omegae = 219.17 Rusk and Gordy, 1962, omegaexe = 0.758 Rusk and Gordy, 1962.
4Rotation-vibration sp.
5muel[D] = 10.60256 + 0.05045(v+1/2) + 0.00015(v+1/2)2 Van Wachem, De Leeuw, et al., 1967, de Leeuw, van Wachem, et al., 1969; nuclear quadrupole and spin-rotation constants in de Leeuw, van Wachem, et al., 1969, see also Fabricand, Carlson, et al., 1953.
6Thermochemical value Brewer and Brackett, 1961, Bulewicz, Phillips, et al., 1961; from the analysis of the fluctuation bands in the UV absorption spectrum Levi, 1934 and Barrow and Caunt, 1953, estimate 3.96 and 4.10 eV, respectively.
7Adiabatic potential from the photoelectron spectrum Potts, Williams, et al., 1974, not corrected for thermal population of the ground state-vibrational levels; vertical potential 8.34 eV.
8See note d of CsBr. From the emission data Kaufmann, Kinsey, et al., 1974, have constructed a tentative upper-state potential energy curve which is, however, dependent on the model potential used for the ground state.
9From D00(KBr) + I.P.(K) - I.P.(KBr); Potts, Williams, et al., 1974 give 0.33 eV.
10From the maxima of the photoelectron spectrum Potts, Williams, et al., 1974, missing citation.


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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]

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

Sommermeyer, 1929
Sommermeyer, K., Ein neues spektrum der gasformigen alkalihalogenide und seine deutung, Z. Phys., 1929, 56, 548. [all data]

Barrow and Caunt, 1953
Barrow, R.F.; Caunt, A.D., The ultra-violet absorption spectra of some gaseous alkali-metal halides and the dissociation energy of fluorine, Proc. R. Soc. London A, 1953, 219, 120. [all data]

Oldenborg, Gole, et al., 1974
Oldenborg, R.C.; Gole, J.L.; Zare, R.N., Chemiluminescent spectra of alkali-halogen reactions, J. Chem. Phys., 1974, 60, 4032. [all data]

Kaufmann, Kinsey, et al., 1974
Kaufmann, K.J.; Kinsey, J.L.; Palmer, H.B.; Tewarson, A., Chemiluminescent emission spectra and possible upper-state potentials of KCl and KBr, J. Chem. Phys., 1974, 61, 1865. [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]

Fabricand, Carlson, et al., 1953
Fabricand, B.P.; Carlson, R.O.; Lee, C.A.; Rabi, I.I., Molecular beam investigation of rotational transitions. II. The rotational levels of KBr and their hyperfine structure, Phys. Rev., 1953, 91, 1403. [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]

Van Wachem, De Leeuw, et al., 1967
Van Wachem, R.; De Leeuw, F.H.; Dymanus, A., Dipole moments of KF and KBr measured by the molecular-beam electric-resonance method, J. Chem. Phys., 1967, 47, 2256. [all data]

de Leeuw, van Wachem, et al., 1969
de Leeuw, F.H.; van Wachem, R.; Dymanus, A., Radio-frequency spectrum of KBr by the molecular-beam electric-resonance method, J. Chem. Phys., 1969, 50, 1393. [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]

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


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