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Bromine

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry 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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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, 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

References

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


Notes

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