Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Bromine monofluoride


Gas phase thermochemistry data

Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References, Notes

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

Quantity Value Units Method Reference Comment
Deltafgas-58.46kJ/molReviewChase, 1998Data last reviewed in September, 1965
Quantity Value Units Method Reference Comment
gas,1 bar228.93J/mol*KReviewChase, 1998Data last reviewed in September, 1965

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. - 6000.
A 36.45226
B 1.347621
C -0.219220
D 0.018644
E -0.357918
F -70.58952
G 270.6425
H -58.46303
ReferenceChase, 1998
Comment Data last reviewed in September, 1965

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References, Notes

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

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to BrF+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
11.86PEDyke, Josland, et al., 1984LBLHLM
11.77 ± 0.01PEColbourn, Dyke, et al., 1978LLK
12.09 ± 0.01PEDeKock, Higginson, et al., 1972LLK
11.78 ± 0.01PEDeKock, Higginson, et al., 1972LLK
11.8 ± 0.2EIIrsa and Friedman, 1958RDSH

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes

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, Gas phase thermochemistry data, Gas phase ion energetics data, 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Dyke, Josland, et al., 1984
Dyke, J.M.; Josland, G.D.; Snijders, J.G.; Boerrigter, P.M., Ionization energies of the diatomic halogens and interhalogens studied with relativistic hartree-fock-slater calculations, Chem. Phys., 1984, 91, 419. [all data]

Colbourn, Dyke, et al., 1978
Colbourn, E.A.; Dyke, J.M.; Fayad, N.K.; Morris, A., The He(I) photoelectron spectra of BrF and IF, J. Electron Spectrosc. Relat. Phenom., 1978, 14, 443. [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]

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]

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

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References