Bromine

• Formula: Br
• Molecular weight: 79.904
• IUPAC Standard InChI: InChI=1S/Br Copy

  
• IUPAC Standard InChIKey: WKBOTKDWSSQWDR-UHFFFAOYSA-N Copy
• CAS Registry Number: 10097-32-2
• Chemical structure:
  This structure is also available as a 2d Mol file
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • References
  • Notes
• Data at other public NIST sites:
  • NIST Atomic Spectra Database - Lines Holdings (on physics web site)
  • NIST Atomic Spectra Database - Levels Holdings (on physics web site)
  • NIST Atomic Spectra Database - Ground states and ionization energies (on physics web site)
  • Gas Phase Kinetics Database
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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View table.

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:
MS - José A. Martinho Simões
B - John E. Bartmess

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

C₁₂H₄F₃IO₄W (g) +  (g) = C₁₂H₄BrF₃O₄W (g) +  (g)

By formula: C₁₂H₄F₃IO₄W (g) + Br (g) = C₁₂H₄BrF₃O₄W (g) + I (g)

C₁₂H₇IO₄W (g) +  (g) = C₁₂H₇BrO₄W (g) +  (g)

By formula: C₁₂H₇IO₄W (g) + Br (g) = C₁₂H₇BrO₄W (g) + I (g)

C₁₁H₅IO₄W (g) +  (g) = C₁₁H₅BrO₄W (g) +  (g)

By formula: C₁₁H₅IO₄W (g) + Br (g) = C₁₁H₅BrO₄W (g) + I (g)

(CAS Reg. No. 12524-61-7 • 4294967295) +  = CAS Reg. No. 12524-61-7

By formula: (CAS Reg. No. 12524-61-7 • 4294967295Br) + Br = CAS Reg. No. 12524-61-7

C₄BrClO₄Re +  = C₄Br₂O₄Re^-

By formula: C₄BrClO₄Re + Br = C₄Br₂O₄Re^-

C₄ClO₄Re +  = C₄BrClO₄Re^-

By formula: C₄ClO₄Re + Br = C₄BrClO₄Re^-

C₄BrIMnO₄ +  = C₄Br₂MnO₄^-

By formula: C₄BrIMnO₄ + Br = C₄Br₂MnO₄^-

C₄ClIMnO₄ +  = C₄BrClMnO₄^-

By formula: C₄ClIMnO₄ + Br = C₄BrClMnO₄^-

C₆H₅O₃Re +  = C₆H₅BrO₃Re^-

By formula: C₆H₅O₃Re + Br = C₆H₅BrO₃Re^-

C₅CrO₅^- +  = C₅BrCrO₅^-

By formula: C₅CrO₅^- + Br = C₅BrCrO₅^-

C₃NiO₃^- +  = C₃BrNiO₃^-

By formula: C₃NiO₃^- + Br = C₃BrNiO₃^-

C₄FeO₄^- +  = C₄BrFeO₄^-

By formula: C₄FeO₄^- + Br = C₄BrFeO₄^-

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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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
B - John E. Bartmess

View reactions leading to Br⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

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

C₃NiO₃^- +  = C₃BrNiO₃^-

By formula: C₃NiO₃^- + Br = C₃BrNiO₃^-

C₄FeO₄^- +  = C₄BrFeO₄^-

By formula: C₄FeO₄^- + Br = C₄BrFeO₄^-

C₅CrO₅^- +  = C₅BrCrO₅^-

By formula: C₅CrO₅^- + Br = C₅BrCrO₅^-

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes

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

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

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

Fischer and Seitz, 1984
Fischer, H.; Seitz, F., J. Organometal. Chem., 1984, 268, 247. [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]

Jones, McDonald, et al., 1989
Jones, M.T.; McDonald, R.N.; Schell, P.L.; Ali, M.H., Kinetics and Mechanism of Halogen Atom Transfer Reactions between Haloalkanes and Several 17-Electron Transition Metal Complex Negative Ions in the Gas Phase, J. Am. Chem. Soc., 1989, 111, 16, 5983, https://doi.org/10.1021/ja00198a001 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Blondel, Cacciani, et al., 1989
Blondel, C.; Cacciani, P.; Delsart, C.; Trainham, R., High Resolution Determination of the Electron Affinity of Fluorine and Bromine using Crossed Ion and Laser Beams, Phys. Rev. A, 1989, 40, 7, 3698, https://doi.org/10.1103/PhysRevA.40.3698 . [all data]

Berry and Reimann, 1963
Berry, R.S.; Reimann, C.W., Absorption Spectrum of Gaseous Fluoride and the Electron Affinities of the Halogen Atoms, J. Chem. Phys., 1963, 38, 7, 1540, https://doi.org/10.1063/1.1776916 . [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]

Lide, 1992
Lide, D.R. (Editor), Ionization potentials of atoms and atomic ions in Handbook of Chem. and Phys., 1992, 10-211. [all data]

Lau and Hildenbrand, 1987
Lau, K.H.; Hildenbrand, D.L., Thermochemistry of the gaseous uranium bromides UBr through UBr₅(a), J. Chem. Phys., 1987, 86, 2949. [all data]

Kelly, 1987
Kelly, R.L., Atomic and ionic spectrum lines of hydrogen through kryton, J. Phys. Chem. Ref. Data, 1987, 16. [all data]

Kimura, Yamazaki, et al., 1978
Kimura, K.; Yamazaki, T.; Achiba, Y., He I (584 A) photoelectron spectra and photoionization cross sections of atomic chlorine and bromine, Chem. Phys. Lett., 1978, 58, 104. [all data]

De Leeuw, Mooyman, et al., 1978
De Leeuw, D.M.; Mooyman, R.; De Lange, C.A., He(I) photoelectron spectroscopy of halogen atoms, Chem. Phys. Lett., 1978, 54, 231. [all data]

Cermak, 1975
Cermak, V., Electron spectroscopy of autoionizing states of oxygen, chlorine and bromine atoms, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 135. [all data]

Moore, 1970
Moore, C.E., Ionization potentials and ionization limits derived from the analyses of optical spectra, Natl. Stand. Ref. Data Ser., (U.S. Natl. Bur. Stand.), 1970, 34, 1. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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