bromine chloride


Gas phase thermochemistry data

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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
Δfgas3.499kcal/molReviewChase, 1998Data last reviewed in September, 1965
Quantity Value Units Method Reference Comment
gas,1 bar57.359cal/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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 6000.
A 8.885741
B 0.148217
C -0.013114
D 0.001120
E -0.051178
F 0.672609
G 67.78119
H 3.500001
ReferenceChase, 1998
Comment Data last reviewed in September, 1965

Reaction thermochemistry data

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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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

BrCl2- + bromine chloride = (BrCl2- • bromine chloride)

By formula: BrCl2- + BrCl = (BrCl2- • BrCl)

Quantity Value Units Method Reference Comment
Δr<111.00kcal/molPDisLee, Smith, et al., 1979gas phase; Computations put dHaff ca. 32 kcal/mol; B
Δr38.10kcal/molN/ACheck, Faust, et al., 2001gas phase; FeBO2-(s); ; ΔS(EA)=-9.1; B
Quantity Value Units Method Reference Comment
Δr26.60kcal/molN/ACheck, Faust, et al., 2001gas phase; FeBO2-(s); ; ΔS(EA)=-9.1; B

bromine chloride + Chlorotrifluoromethane = Bromotrifluoromethane + Chlorine

By formula: BrCl + CClF3 = CBrF3 + Cl2

Quantity Value Units Method Reference Comment
Δr10.69 ± 0.15kcal/molEqkCoomber and Whittle, 1967gas phase; ALS

bromine chloride + Pentafluoroethyl chloride = C2BrF5 + Chlorine

By formula: BrCl + C2ClF5 = C2BrF5 + Cl2

Quantity Value Units Method Reference Comment
Δr10.3 ± 0.6kcal/molEqkCoomber and Whittle, 1967gas phase; ALS

Carbon Tetrachloride + Bromine = bromine chloride + Methane, bromotrichloro-

By formula: CCl4 + Br2 = BrCl + CBrCl3

Quantity Value Units Method Reference Comment
Δr8.8 ± 0.3kcal/molEqkMendenhall, Golden, et al., 1973gas phase; ALS

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 79Br35Cl
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
Additional absorption bands above 65000 cm-1; no analysis.
missing citation; missing citation
Six continuous emission bands between 27800 and 39200 cm-1.
Haranath and Rao, 1957
D 61570 [504] 1 H         D ↔ X V 61600 H
missing citation; Haranath and Rao, 1957
C 59325 519 1 H 2.9        C ↔ X V 59362 H
missing citation; Haranath and Rao, 1957
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
B 3Π0+ 16879.91 2 222.68 2 2.884 2  0.107704 3 4   (1.01E-7)  2.5415 B ↔ X R 16735.9 5
missing citation; Coxon, 1974; Hadley, Bina, et al., 1974; Wight, Ault, et al., 1975
A 3Π1 6           A ← X R 
Coxon, 1974
X 1Σ+ 0 444.276 Z 1.843 7 -0.004 0.1524695 4 7.697E-4 7 -2.6E-6 7.183E-8 8 3.5E-10 2.136065 9  
Mattraw, Pachucki, et al., 1954; Brooks and Crawford, 1955; Clyne and Coxon, 1967
Raman sp. 10
Holzer, Murphy, et al., 1970
Microwave sp. 11
Smith, Tidwell, et al., 1950

Notes

1Normal isotopic mixture.
2Deperturbed constants Coxon, 1974 allowing for the perturbation by the intersecting 0+ state arising from normal atoms (interaction matrix element ~ 360 cm-1), ωeye = -0.0673. The observed vibrational levels Coxon, 1974 are pushed down from their calculated positions by shifts ranging from 42 (for v=2) to 135 (for v=8) cm-1.
3Deperturbed value Coxon, 1974; αe not given. Experimental Bv, Dv, Hv values for 2≤v≤8 in Coxon, 1974.
4RKR potential curve Coxon, 1974.
5Extrapolated from the lowest observed level (v'=2); see Coxon, 1974. Clyne and Coxon, 1967 give 16695 cm-1 based on low-dispersion spectra.
6Several bands of this system observed but not analysed.
7missing note
8He= -1.53E-14.
9Infrared sp. 15
10See also Wallart, 1972 [liquid BrCl] and Wight, Ault, et al., 1975 [BrCl in rare gas matrices].
11μel ~0.57 D and values of eqQ(35,37Cl, 79,81Br).
12From the heats of formation of BrCl and Br2 Stull and Prophet, 1971 and the dissociation energies of Br2 and Cl2.
13Electron impact appearance potential Irsa and Friedman, 1958.
14Franck-Condon factors Coxon, 1974.
15Integrated absorption coefficients, dipole moment derivative Brooks and Crawford, 1955.

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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]

Lee, Smith, et al., 1979
Lee, L.C.; Smith, G.P.; Moseley, J.T.; Cosby, P.C.; Guest, J.A., Photodissociation and photodetachment of Cl2-, ClO-, Cl3-, and BrCl2-, J. Chem. Phys., 1979, 70, 3237. [all data]

Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S., Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements, J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l . [all data]

Coomber and Whittle, 1967
Coomber, J.W.; Whittle, E., Bond dissociation energies from equilibrium studies. Part 3.-D(CF3-Cl), D(C2F5-Cl) and the enthalpy of formation of CF3Cl, Trans. Faraday Soc., 1967, 63, 2656-2667. [all data]

Mendenhall, Golden, et al., 1973
Mendenhall, G.D.; Golden, D.M.; Benson, S.W., Thermochemistry of the bromination of carbon tetrachloride and the heat of formation of carbon tetrachloride, J. Phys. Chem., 1973, 77, 2707-2709. [all data]

Haranath and Rao, 1957
Haranath, P.B.V.; Rao, P.T., Emission spectra of mixed halogens. Part II: IBr and BrCl, Indian J. Phys., 1957, 31, 368. [all data]

Coxon, 1974
Coxon, J.A., Rotational vibrational analysis of the B3Π(O+)-X1Σ+ band system of 79Br35Cl and 81Br35Cl, J. Mol. Spectrosc., 1974, 50, 142. [all data]

Hadley, Bina, et al., 1974
Hadley, S.G.; Bina, M.J.; Brabson, G.D., The a3ΠO+ → X1Σ+ system of bromine chloride, J. Phys. Chem., 1974, 78, 1833. [all data]

Wight, Ault, et al., 1975
Wight, C.A.; Ault, B.S.; Andrews, L., Laser-induced fluorescence and resonance Raman spectra of interhalogen diatomics isolated in inert matrices at 12 K, J. Mol. Spectrosc., 1975, 56, 239. [all data]

Mattraw, Pachucki, et al., 1954
Mattraw, H.C.; Pachucki, C.F.; Hawkins, N.J., Equilibrium constant, infrared spectrum, and thermodynamic properties of bromine chloride, J. Chem. Phys., 1954, 22, 1117. [all data]

Brooks and Crawford, 1955
Brooks, W.V.F.; Crawford, B., Jr., Vibrational intensities. V. BrCl and ICl, J. Chem. Phys., 1955, 23, 363. [all data]

Clyne and Coxon, 1967
Clyne, M.A.A.; Coxon, J.A., The formation and detection of some low-lying excited electronic states of BrCl and other halogens, Proc. R. Soc. London A, 1967, 298, 424. [all data]

Holzer, Murphy, et al., 1970
Holzer, W.; Murphy, W.F.; Bernstein, H.J., Resonance Raman effect and resonance fluoroscence in halogen gases, J. Chem. Phys., 1970, 52, 399. [all data]

Smith, Tidwell, et al., 1950
Smith, D.F.; Tidwell, M.; Williams, D.V.P., The microwave spectrum of BrCl, Phys. Rev., 1950, 79, 1007. [all data]

Wallart, 1972
Wallart, F., Study of vibrational hot bands by Raman spectroscopy - application to chlorine and bromine chloride, Can. J. Spectrosc., 1972, 17, 128. [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]

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


Notes

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