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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
Deltafgas14.64kJ/molReviewChase, 1998Data last reviewed in September, 1965
Quantity Value Units Method Reference Comment
gas,1 bar239.99J/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.

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Temperature (K) 298. - 6000.
A 37.17794
B 0.620140
C -0.054869
D 0.004685
E -0.214127
F 2.814196
G 283.5965
H 14.64400
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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

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

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

Quantity Value Units Method Reference Comment
Deltar<464.42kJ/molPDisLee, Smith, et al., 1979gas phase; Computations put dHaff ca. 32 kcal/mol; B
Deltar159.4kJ/molN/ACheck, Faust, et al., 2001gas phase; FeBO2-(s); ; «DELTA»S(EA)=-9.1; B
Quantity Value Units Method Reference Comment
Deltar111.3kJ/molN/ACheck, Faust, et al., 2001gas phase; FeBO2-(s); ; «DELTA»S(EA)=-9.1; B

bromine chloride + Chlorotrifluoromethane = Bromotrifluoromethane + Chlorine

By formula: BrCl + CClF3 = CBrF3 + Cl2

Quantity Value Units Method Reference Comment
Deltar44.73 ± 0.63kJ/molEqkCoomber and Whittle, 1967gas phase; ALS

bromine chloride + Pentafluoroethyl chloride = C2BrF5 + Chlorine

By formula: BrCl + C2ClF5 = C2BrF5 + Cl2

Quantity Value Units Method Reference Comment
Deltar43. ± 3.kJ/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
Deltar37. ± 1.kJ/molEqkMendenhall, Golden, et al., 1973gas phase; ALS

Henry's Law 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 by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
4.23700.MN/A missing citation measured the solubility in concentrated salt solutions (natural brines).

Gas phase ion energetics 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
11.1 ± 0.2EIIrsa and Friedman, 1958RDSH
11.01PEDyke, Josland, et al., 1984Vertical value; LBLHLM

Ion clustering 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 by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

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

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

Quantity Value Units Method Reference Comment
Deltar<464.42kJ/molPDisLee, Smith, et al., 1979gas phase; Computations put dHaff ca. 32 kcal/mol
Deltar159.4kJ/molN/ACheck, Faust, et al., 2001gas phase; FeBO2-(s); ; «DELTA»S(EA)=-9.1
Quantity Value Units Method Reference Comment
Deltar111.3kJ/molN/ACheck, Faust, et al., 2001gas phase; FeBO2-(s); ; «DELTA»S(EA)=-9.1

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
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
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 lrarrow X V 61600 H
missing citation; Haranath and Rao, 1957
C 59325 519 1 H 2.9        C lrarrow X V 59362 H
missing citation; Haranath and Rao, 1957
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B 3Pi0+ 16879.91 2 222.68 2 2.884 2  0.107704 3 4   (1.01E-7)  2.5415 B lrarrow X R 16735.9 5
missing citation; Coxon, 1974; Hadley, Bina, et al., 1974; Wight, Ault, et al., 1975
A 3Pi1 6           A larrow X R 
Coxon, 1974
X 1Sigma+ 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), omegaeye = -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; alphae not given. Experimental Bv, Dv, Hv values for 2leqvleq8 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].
11muel ~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, Henry's Law data, Gas phase ion energetics data, Ion clustering 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]

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

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 B3«PI»(O+)-X1«SIGMA»+ 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 a3«PI»O+ --> X1«SIGMA»+ 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]


Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, References