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BrK+

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
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 (39)K(79)Br+
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
D (1/2) (137300) 1 2           
C (3/2,1/2) 134700 1 2           
A (1/2) 3900 1 3           
X (3/2,1/2) 0 1 3           

Notes

1From the maxima of the photoelectron spectrum Potts, Williams, et al., 1974, missing citation.
2Removal of an electron from the metal 3p shell.
3Removal of an electron from the halogen 4p shell.
4Thermochemical 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.
5Adiabatic 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.
6Absorption cross sections Davidovits and Brodhead, 1967. The electron energy loss spectrum Geiger and Pfeiffer, 1968 has peaks at 37000, 52000, 63000 cm-1.
7See 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.
8From 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.
9muel[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.
10From D00(KBr) + I.P.(K) - I.P.(KBr); Potts, Williams, et al., 1974 give 0.33 eV.

References

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

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]

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]

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

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]

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]

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]

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]

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]

Notes

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