iodine bromide

• Formula: BrI
• Molecular weight: 206.808
• IUPAC Standard InChI: InChI=1S/BrI/c1-2 Copy

  
• IUPAC Standard InChIKey: CBEQRNSPHCCXSH-UHFFFAOYSA-N Copy
• CAS Registry Number: 7789-33-5
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • iodine bromide
• Other names: Iodine monobromide
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Ion clustering data
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Gas Phase Kinetics Database
• Options:
  • Switch to calorie-based units

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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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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

Br₂I^- +  = (Br₂I^- • )

By formula: Br₂I^- + BrI = (Br₂I^- • BrI)

 +  =  + 

By formula: C₂H₂BrF₃ + I₂ = C₂H₂F₃I + BrI

 +  =  + 

By formula: I₂ + CBrF₃ = CF₃I + BrI

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)

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

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 evaluated as indicated in comments:
L - Sharon G. Lias

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
B - John E. Bartmess

Electron affinity determinations

Ionization energy determinations

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, 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]

Finch, Gates, et al., 1977
Finch, A.; Gates, P.N.; Peake, S.J., Thermochemistry of polyhalides. III. Cesium and rubidium tetrachloroiodates, J. Inorg. Nucl. Chem., 1977, 39, 2135. [all data]

Sanov, Sanford, et al., 1999
Sanov, A.; Sanford, T.; Butler, L.J.; Vala, J.; Kosloff, R.; Lineberger, W.C., Photodissociation dynamics of gas-phase BrICl- and IBr2- anions, J. Phys. Chem. A, 1999, 103, 49, 10244-10254, https://doi.org/10.1021/jp9920803 . [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]

Buckley, Ford, et al., 1980
Buckley, G.S.; Ford, W.G.F.; Rodgers, A.S., The thermochemistry of the gas phase reaction: CF₃CH₂Br + I₂ = CF₃CH₂I + IBr. Polarity effects in thermochemistry, Thermochim. Acta, 1980, 42, 349-355. [all data]

Kolesov and Papina, 1983
Kolesov, V.P.; Papina, T.S., Thermochemistry of Haloethanes, Russ. Chem. Rev., 1983, 52, 425. [all data]

Lord, Goy, et al., 1967
Lord, A.; Goy, C.A.; Pritchard, H.O., The heats of formation of trifluoromethyl chloride and bromide, J. Phys. Chem., 1967, 71, 2705-2707. [all data]

Sheps, Miller, et al., 2009
Sheps, L.; Miller, E.M.; Lineberger, W.C., Photoelectron spectroscopy of small IBr-(CO2)(n), (n=0-3) cluster anions, J. Chem. Phys., 2009, 131, 6, 064304, https://doi.org/10.1063/1.3200941 . [all data]

Auerbach, Hubers, et al., 1973
Auerbach, D.J.; Hubers, M.M.; Baeda, A.P.M.; Los, J., Chemi-ionization in alkali-heteronuclear halogen collisions: Role of excited molecular ion states, Chem. Phys., 1973, 2, 107. [all data]

Baeda, 1972
Baeda, A.P.M., The adiabatic electron affinities of Cl₂, Br₂, I₂, IBr, NO₂, and O₂, Physica, 1972, 59, 541. [all data]

Chupka, Berkowitz, et al., 1971
Chupka, W.A.; Berkowitz, J.; Gutman, D., Electron Affinities of Halogen Diatomic Molecules as Determined by Endoergic Charge Exchange, J. Chem. Phys., 1971, 55, 6, 2724, https://doi.org/10.1063/1.1676487 . [all data]

Hubers, Kleyn, et al., 1976
Hubers, M.M.; Kleyn, A.W.; Los, J., Ion pair formation in alkali-halogen collisions at high velocities, Chem. Phys., 1976, 17, 303. [all data]

Higginson, Lloyd, et al., 1973
Higginson, B.R.; Lloyd, D.R.; Roberts, P.J., Variable temperature photoelectron spectroscopy. The adiabatic ionization potential of the iodine molecule, Chem. Phys. Lett., 1973, 19, 480. [all data]

Potts and Price, 1971
Potts, A.W.; Price, W.C., Photoelectron spectra of the halogens and mixed halides ICI and lBr, J. Chem. Soc. Faraday Trans., 1971, 67, 1242. [all data]

Dibeler, Walker, et al., 1971
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E.; Rosenstock, H.M., Effect of hot bands on the ionization threshold of some diatomic halogen molecules, Intern. J. Mass Spectrom. Ion Phys., 1971, 7, 209. [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]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
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