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Bromine

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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
Deltafgas26.738 ± 0.029kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Deltafgas26.735kcal/molReviewChase, 1998Data last reviewed in June, 1982
Quantity Value Units Method Reference Comment
gas,1 bar41.8303 ± 0.001cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar41.831cal/mol*KReviewChase, 1998Data last reviewed in June, 1982

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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View table.

Temperature (K) 298. - 900.900. - 6000.
A 5.0903714.985980
B -0.4251300.488877
C 0.380806-0.147883
D 0.0692820.012119
E -0.002795-0.228470
F 25.2234924.83260
G 48.0837047.33659
H 26.7352126.73521
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1982 Data last reviewed in June, 1982

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering 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 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) + Bromine (g) = C12H4BrF3O4W (g) + Iodine atom (g)

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

Quantity Value Units Method Reference Comment
Deltar-13.kcal/molEqSFischer and Seitz, 1984The reaction enthalpy relies on a single measurement of the equilibrium constant in 1,1,2-trichloroethane (at 263 K) for the reaction W(CO)4(CC6H4CF3)(I)(solution) + Br(-)(solution) = W(CO)4(CC6H4CF3)(Br)(solution) + I(-)(solution), and on solvation and electron affinity data. It assumes that the reaction entropy is negligible Fischer and Seitz, 1984; MS

C12H7IO4W (g) + Bromine (g) = C12H7BrO4W (g) + Iodine atom (g)

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

Quantity Value Units Method Reference Comment
Deltar-13.kcal/molEqSFischer and Seitz, 1984The reaction enthalpy relies on a single measurement of the equilibrium constant in 1,1,2-trichloroethane (at 263 K) for the reaction W(CO)4(CC6H4Me)(I)(solution) + Br(-)(solution) = W(CO)4(CC6H4Me)(Br)(solution) + I(-)(solution), and on solvation and electron affinity data. It assumes that the reaction entropy is negligible Fischer and Seitz, 1984; MS

C11H5IO4W (g) + Bromine (g) = C11H5BrO4W (g) + Iodine atom (g)

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

Quantity Value Units Method Reference Comment
Deltar-13.kcal/molEqSFischer and Seitz, 1984The reaction enthalpy relies on a single measurement of the equilibrium constant in 1,1,2-trichloroethane (at 263 K) for the reaction W(CO)4(CPh)(I)(solution) + Br(-)(solution) = W(CO)4(CPh)(Br)(solution) + I(-)(solution), and on solvation and electron affinity data. It assumes that the reaction entropy is negligible Fischer and Seitz, 1984; MS

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

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

Quantity Value Units Method Reference Comment
Deltar29.90 ± 0.15kcal/molN/ASheps, Miller, et al., 2009gas phase; Vertical Detachment Energy: 3.341 eV; B

C4BrClO4Re + Bromine = C4Br2O4Re-

By formula: C4BrClO4Re + Br = C4Br2O4Re-

Quantity Value Units Method Reference Comment
Deltar>70.60kcal/molIMRBJones, McDonald, et al., 1989gas phase; B

C4ClO4Re + Bromine = C4BrClO4Re-

By formula: C4ClO4Re + Br = C4BrClO4Re-

Quantity Value Units Method Reference Comment
Deltar>70.60kcal/molIMRBJones, McDonald, et al., 1989gas phase; B

C4BrIMnO4 + Bromine = C4Br2MnO4-

By formula: C4BrIMnO4 + Br = C4Br2MnO4-

Quantity Value Units Method Reference Comment
Deltar>70.60kcal/molIMRBJones, McDonald, et al., 1989gas phase; B

C4ClIMnO4 + Bromine = C4BrClMnO4-

By formula: C4ClIMnO4 + Br = C4BrClMnO4-

Quantity Value Units Method Reference Comment
Deltar>70.60kcal/molIMRBJones, McDonald, et al., 1989gas phase; B

C6H5O3Re + Bromine = C6H5BrO3Re-

By formula: C6H5O3Re + Br = C6H5BrO3Re-

Quantity Value Units Method Reference Comment
Deltar>70.60kcal/molIMRBJones, McDonald, et al., 1989gas phase; B

C5CrO5- + Bromine = C5BrCrO5-

By formula: C5CrO5- + Br = C5BrCrO5-

Quantity Value Units Method Reference Comment
Deltar>70.60kcal/molIMRBJones, McDonald, et al., 1989gas phase; B

C3NiO3- + Bromine = C3BrNiO3-

By formula: C3NiO3- + Br = C3BrNiO3-

Quantity Value Units Method Reference Comment
Deltar>70.90kcal/molIMRBJones, McDonald, et al., 1989gas phase; B

C4FeO4- + Bromine = C4BrFeO4-

By formula: C4FeO4- + Br = C4BrFeO4-

Quantity Value Units Method Reference Comment
Deltar>70.60kcal/molIMRBJones, McDonald, et al., 1989gas phase; B

Gas phase ion energetics data

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

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)

Quantity Value Units Method Reference Comment
IE (evaluated)11.81381eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)132.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity127.0kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
3.363583 ± 0.000044LPDBlondel, Cacciani, et al., 1989reported: 27129.170±0.015 cm-1; B
3.3630 ± 0.0030N/ABerry and Reimann, 1963B
3.4912N/ACheck, Faust, et al., 2001F-; ; «DELTA»S(acid)=19.2; «DELTA»S(EA)=6.4; B

Ionization energy determinations

IE (eV) Method Reference Comment
11.81381EVALLide, 1992LL
11.9 ± 0.3EILau and Hildenbrand, 1987LBLHLM
11.814SKelly, 1987LBLHLM
11.81PEKimura, Yamazaki, et al., 1978LLK
11.81 ± 0.02PEDe Leeuw, Mooyman, et al., 1978LLK
11.814SCermak, 1975LLK
11.81381SMoore, 1970RDSH

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Reaction 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: 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- + Bromine = C3BrNiO3-

By formula: C3NiO3- + Br = C3BrNiO3-

Quantity Value Units Method Reference Comment
Deltar>70.90kcal/molIMRBJones, McDonald, et al., 1989gas phase

C4FeO4- + Bromine = C4BrFeO4-

By formula: C4FeO4- + Br = C4BrFeO4-

Quantity Value Units Method Reference Comment
Deltar>70.60kcal/molIMRBJones, McDonald, et al., 1989gas phase

C5CrO5- + Bromine = C5BrCrO5-

By formula: C5CrO5- + Br = C5BrCrO5-

Quantity Value Units Method Reference Comment
Deltar>70.60kcal/molIMRBJones, McDonald, et al., 1989gas phase

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