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Bromine monofluoride


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 79Br19F
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
Fragments of three emission systems between 57000 and 64000 cm-1.
Brodersen and Mayo, 1955
B 3Pi0+ 18272.0 372.2 H 3.49 1        B lrarrow X R 18122.8 H
Durie, 1951; Brodersen and Sicre, 1955; Clyne, Coxon, et al., 1972
A 3Pi1 (17385) (378) 2 H (16)        A larrow X R (17235) 2
Brodersen and Sicre, 1955
X 1Sigma+ 0 670.75 H 4.054  0.355843 E 0.002612  (4.01E-7)  1.75894 3  
Smith, Tidwell, et al., 1950

Notes

1missing note
2Fragmentary observations; the constants are very uncertain. See Coxon, 1975.
3Microwave sp. 7
4From 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.
5From 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.
6Rotational constants recalculated by Calder and Ruedenberg, 1968 from Smith, Tidwell, et al., 1950.
7muel=1.29 D; also values for eqQ(79,81Br). Zeeman effect Ewing, Tigelaar, et al., 1972.
8D00(BrF) + I.P.(Br) - I.P.(BrF).
9From the photoelectron spectrum DeKock, Higginson, et al., 1972.

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.

Brodersen and Mayo, 1955
Brodersen, P.H.; Mayo, S., BrF-Banden im Schumann-Gebiet, Z. Phys., 1955, 143, 477. [all data]

Durie, 1951
Durie, R.A., The visible emission spectra of iodine and bromine monofluorides and their dissociation energies, Proc. R. Soc. London A, 1951, 207, 388. [all data]

Brodersen and Sicre, 1955
Brodersen, P.H.; Sicre, J.E., Das Spektrum des BrF und seine Dissoziationsenergie, Z. Phys., 1955, 141, 515. [all data]

Clyne, Coxon, et al., 1972
Clyne, M.A.A.; Coxon, J.A.; Townsend, L.W., Formation of the B3«PI»(0+) states of BrF and IF by atom recombination in the presence of singlet (1«DELTA»g, 1«SIGMA»g+) oxygen, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 2134. [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]

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

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]

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]

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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