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BrF+


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 June, 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 (79)Br19F+
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X2 2Pi1/2 2600 1 750 1          
X1 2Pi3/2 0 750 1          

Notes

1From the photoelectron spectrum DeKock, Higginson, et al., 1972.
2From the heats of formation Stull and Prophet, 1971 of BrF and Br2 and the dissociation energies of Br2 and F2. A higher value, 2.71 eV, was suggested Coxon, 1975 on the basis of an assumed 20% failure for the linear Birge-Sponer extrapolation of the ground state.
3From the photoelectron spectrum DeKock, Higginson, et al., 1972; in reasonable agreement with an electron impact appearance potential of 11.8 eV Irsa and Friedman, 1958.
4Fragmentary observations; the constants are very uncertain. See Coxon, 1975.
5Rotational constants recalculated by Calder and Ruedenberg, 1968 from Smith, Tidwell, et al., 1950.
6muel=1.29 D; also values for eqQ(79,81Br). Zeeman effect Ewing, Tigelaar, et al., 1972.
7D00(BrF) + I.P.(Br) - I.P.(BrF).

References

Go To: Top, 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.

DeKock, Higginson, et al., 1972
DeKock, R.L.; Higginson, B.R.; Lloyd, D.R.; Breeze, A.; Cruickshank, D.W.J.; Armstrong, D.R., Photoelectron spectra of halides. V. Experimental theoretical study of the electronic structures of ClF, ClF3, BrF and BrF3, Mol. Phys., 1972, 24, 1059. [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]

Coxon, 1975
Coxon, J.A., Dissociation energies of diatomic halogen fluorides, Chem. Phys. Lett., 1975, 33, 136. [all data]

Irsa and Friedman, 1958
Irsa, A.P.; Friedman, L., Mass spectra of halogen fluorides, J. Inorg. Nucl. Chem., 1958, 6, 77. [all data]

Calder and Ruedenberg, 1968
Calder, G.V.; Ruedenberg, K., Quantitative correlations between rotational and vibrational spectroscopic constants in diatomic molecules, J. Chem. Phys., 1968, 49, 5399. [all data]

Smith, Tidwell, et al., 1950
Smith, D.F.; Tidwell, M.; Williams, D.V.P., The microwave spectrum of bromine monofluoride, Phys. Rev., 1950, 77, 420. [all data]

Ewing, Tigelaar, et al., 1972
Ewing, J.J.; Tigelaar, H.L.; Flygare, W.H., Molecular Zeeman effect, magnetic properties, and electric quadrupole moments in C1F, BrF, C1CN, BrCN, and ICN, J. Chem. Phys., 1972, 56, 1957. [all data]


Notes

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