Bromine

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Constants of diatomic molecules, 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
ΔfH°gas30.91 ± 0.11kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
ΔfH°gas30.91kJ/molReviewChase, 1998Data last reviewed in June, 1982
Quantity Value Units Method Reference Comment
S°gas,1 bar245.468 ± 0.005J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
S°gas,1 bar245.38J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 332.503 to 3400.3400. to 6000.
A 38.5272334.99288
B -1.9768359.252248
C 1.526107-2.361588
D -0.1983980.154336
E -0.185815-43.07637
F 18.87620-7.467771
G 291.4863273.6303
H 30.9100130.91001
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1982 Data last reviewed in June, 1982

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Constants of diatomic molecules, 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
S°liquid152.21 ± 0.30J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Constants of diatomic molecules, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus266.0KN/AWeber, 1912Uncertainty assigned by TRC = 0.3 K; TRC
Tfus254.15KN/ASerullas, 1827Uncertainty assigned by TRC = 10. K; TRC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
29.8358.N/ABlair and Ihle, 1973Based on data from 343. to 383. K.; AC
31.3312.N/AFischer and Bingle, 1955Based on data from 297. to 389. K.; AC
17.6206.CGiauque and Wiebe, 1928AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
343. to 383.4.708271562.2640.628Blair and Ihle, 1973Coefficents calculated by NIST from author's data.
224.5 to 331.42.94529638.258-115.144Stull, 1947Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Constants of diatomic molecules, 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
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.

Reactions 1 to 50

C8H6MoO3 (cr) + Bromine (solution) = Hydrogen bromide (solution) + Cyclopentadienylmolybdenumtricarbonyl bromide (cr)

By formula: C8H6MoO3 (cr) + Br2 (solution) = HBr (solution) + C8H5BrMoO3 (cr)

Quantity Value Units Method Reference Comment
ΔrH°-150. ± 12.kJ/molN/ANolan, López de la Vega, et al., 1986solvent: Carbon tetrachloride; The reaction enthalpy was calculated Nolan, López de la Vega, et al., 1986 from the experimental values for the enthalpies of the following reactions: Mo(Cp)(CO)3(H)(cr) + 2Br2(solution) = Mo(Cp)(CO)2(Br)3(solution) + HBr(solution) + CO(solution), -254.0 ± 8.4 kJ/mol, and Mo(Cp)(CO)3(Br)(cr) + Br2(solution) = Mo(Cp)(CO)2(Br)3(solution) + CO(solution), -104.2 ± 8.4 kJ/mol; MS

C16H10Mo2O6 (cr) + Bromine (solution) = 2Cyclopentadienylmolybdenumtricarbonyl bromide (cr)

By formula: C16H10Mo2O6 (cr) + Br2 (solution) = 2C8H5BrMoO3 (cr)

Quantity Value Units Method Reference Comment
ΔrH°-177. ± 17.kJ/molN/ANolan, López de la Vega, et al., 1986solvent: Carbon tetrachloride; The reaction enthalpy was calculated Nolan, López de la Vega, et al., 1986 from the experimental values for the enthalpies of the following reactions: [Mo(Cp)(CO)3]2(cr) + 3Br2(solution) = 2Mo(Cp)(CO)2(Br)3(solution) + 2CO(solution), -384.9 ± 4.2 kJ/mol, and Mo(Cp)(CO)3(Br)(cr) + Br2(solution) = Mo(Cp)(CO)2(Br)3(solution) + CO(solution), -104.2 ± 8.4 kJ/mol; MS

Bromine anion + Bromine = (Bromine anion • Bromine)

By formula: Br- + Br2 = (Br- • Br2)

Quantity Value Units Method Reference Comment
ΔrH°127. ± 7.1kJ/molCIDTNizzi, Pommerening, et al., 1998gas phase; B
ΔrH°141.0kJ/molN/ACheck, Faust, et al., 2001gas phase; Fe-; ; ΔS(EA)=5.8; B
Quantity Value Units Method Reference Comment
ΔrG°94.14kJ/molN/ACheck, Faust, et al., 2001gas phase; Fe-; ; ΔS(EA)=5.8; B

1-Butene + Bromine = Butane, 1,2-dibromo-

By formula: C4H8 + Br2 = C4H8Br2

Quantity Value Units Method Reference Comment
ΔrH°-120.9kJ/molCmLister, 1941gas phase; Heat of bromination at 300 K; ALS
ΔrH°-123.2 ± 0.84kJ/molCmConn, Kistiakowsky, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -123.8 ± 0.84 kJ/mol; At 355 °K; ALS

2-Butene, (E)- + Bromine = erythro-2,3-Dibromobutane

By formula: C4H8 + Br2 = C4H8Br2

Quantity Value Units Method Reference Comment
ΔrH°-121.1 ± 0.84kJ/molCmConn, Kistiakowsky, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -121.7 ± 0.84 kJ/mol; At 355 °K; ALS

Ethylene + Bromine = Ethane, 1,2-dibromo-

By formula: C2H4 + Br2 = C2H4Br2

Quantity Value Units Method Reference Comment
ΔrH°-120.9 ± 1.3kJ/molCmConn, Kistiakowsky, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -121.6 ± 1.3 kJ/mol; At 355 °K; ALS

Propene + Bromine = Propane, 1,2-dibromo-

By formula: C3H6 + Br2 = C3H6Br2

Quantity Value Units Method Reference Comment
ΔrH°-122.5 ± 0.84kJ/molCmConn, Kistiakowsky, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -123.1 ± 0.84 kJ/mol; At 355 °K; ALS

Hydrogen bromide + Benzene, (bromomethyl)- = Toluene + Bromine

By formula: HBr + C7H7Br = C7H8 + Br2

Quantity Value Units Method Reference Comment
ΔrH°33.9 ± 4.2kJ/molEqkBenson and Buss, 1957gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 33. ± 4. kJ/mol; ALS

Carbonic dibromide = Carbon monoxide + Bromine

By formula: CBr2O = CO + Br2

Quantity Value Units Method Reference Comment
ΔrH°33.9 ± 0.42kJ/molEqkDunning and Pritchard, 1972gas phase; ALS
ΔrH°4.3 ± 0.4kJ/molEqkSchumacher and Bergmann, 1931gas phase; ALS

Trimethylindium (l) + 3Bromine (l) = Br3In (cr) + 3Methane, bromo- (g)

By formula: C3H9In (l) + 3Br2 (l) = Br3In (cr) + 3CH3Br (g)

Quantity Value Units Method Reference Comment
ΔrH°-665.3 ± 4.2kJ/molRSCClarke and Price, 1968Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

Mercury, dimethyl- (l) + 2Bromine (l) = 2Methane, bromo- (g) + Mercury(II) bromide (cr)

By formula: C2H6Hg (l) + 2Br2 (l) = 2CH3Br (g) + Br2Hg (cr)

Quantity Value Units Method Reference Comment
ΔrH°-302.1 ± 2.5kJ/molRSCHartley, Pritchard, et al., 1950Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

Stannane, trimethyl(phenylmethyl)- (l) + Bromine (g) = Benzene, (bromomethyl)- (l) + C3H9BrSn (l)

By formula: C10H16Sn (l) + Br2 (g) = C7H7Br (l) + C3H9BrSn (l)

Quantity Value Units Method Reference Comment
ΔrH°-226.6 ± 0.9kJ/molRSCPedley and Skinner, 1959Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

Stannane, tetramethyl- (l) + Bromine (g) = C3H9BrSn (l) + Methane, bromo- (g)

By formula: C4H12Sn (l) + Br2 (g) = C3H9BrSn (l) + CH3Br (g)

Quantity Value Units Method Reference Comment
ΔrH°-202.1 ± 2.9kJ/molRSCPedley, Skinner, et al., 1957Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

C8H6MoO3 (cr) + 2Bromine (solution) = C7H5Br3MoO2 (solution) + Hydrogen bromide (solution) + Carbon monoxide (solution)

By formula: C8H6MoO3 (cr) + 2Br2 (solution) = C7H5Br3MoO2 (solution) + HBr (solution) + CO (solution)

Quantity Value Units Method Reference Comment
ΔrH°-254.0 ± 8.4kJ/molRSCNolan, López de la Vega, et al., 1986solvent: Carbon tetrachloride; MS

Propanedioic acid + Bromine = Hydrogen bromide + Propanedioic acid, 2-bromo-

By formula: C3H4O4 + Br2 = HBr + C3H3BrO4

Quantity Value Units Method Reference Comment
ΔrH°-66.0 ± 2.9kJ/molCmKoros, Orban, et al., 1979liquid phase; solvent: Sulfuric acid (1M); Bromination; ALS

Hexamethylditin (l) + Bromine (l) = 2C3H9BrSn (l)

By formula: C6H18Sn2 (l) + Br2 (l) = 2C3H9BrSn (l)

Quantity Value Units Method Reference Comment
ΔrH°-293.9 ± 2.1kJ/molRSCPedley, Skinner, et al., 1957Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

C16H10Mo2O6 (cr) + 3Bromine (solution) = 2C7H5Br3MoO2 (solution) + 2Carbon monoxide (solution)

By formula: C16H10Mo2O6 (cr) + 3Br2 (solution) = 2C7H5Br3MoO2 (solution) + 2CO (solution)

Quantity Value Units Method Reference Comment
ΔrH°-384.9 ± 4.2kJ/molRSCNolan, López de la Vega, et al., 1986solvent: Carbon tetrachloride; MS

Hydrogen bromide + Bromoacetone = Acetone + Bromine

By formula: HBr + C3H5BrO = C3H6O + Br2

Quantity Value Units Method Reference Comment
ΔrH°31.1 ± 8.4kJ/molEqkKing, Golden, et al., 1971gas phase; Heat of bromination at 516-618 K; ALS

Cyclopentadienylmolybdenumtricarbonyl bromide (cr) + Bromine (solution) = C7H5Br3MoO2 (solution) + Carbon monoxide (solution)

By formula: C8H5BrMoO3 (cr) + Br2 (solution) = C7H5Br3MoO2 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
ΔrH°-104.2 ± 8.4kJ/molRSCNolan, López de la Vega, et al., 1986solvent: Carbon tetrachloride; MS

C12H7MnO5 (cr) + 1.5Bromine (g) = Benzene, (bromomethyl)- (g) + manganese dibromide (cr) + 5Carbon monoxide (g)

By formula: C12H7MnO5 (cr) + 1.5Br2 (g) = C7H7Br (g) + Br2Mn (cr) + 5CO (g)

Quantity Value Units Method Reference Comment
ΔrH°-194.5 ± 7.8kJ/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS

Bromine + Cyclooctene = 1,2-Dibromocyclooctane

By formula: Br2 + C8H14 = C8H14Br2

Quantity Value Units Method Reference Comment
ΔrH°-122.63kJ/molCmLister, 1941gas phase; Heat of bromination at 300 K; ALS

C6F3MnO5 (cr) + 1.5Bromine (g) = manganese dibromide (cr) + 5Carbon monoxide (g) + Bromotrifluoromethane (g)

By formula: C6F3MnO5 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 5CO (g) + CBrF3 (g)

Quantity Value Units Method Reference Comment
ΔrH°-173. ± 3.kJ/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS

C7F3MnO6 (cr) + 1.5Bromine (g) = manganese dibromide (cr) + 6Carbon monoxide (g) + Bromotrifluoromethane (g)

By formula: C7F3MnO6 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 6CO (g) + CBrF3 (g)

Quantity Value Units Method Reference Comment
ΔrH°-161. ± 2.kJ/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS

Cyclohexene + Bromine = Cyclohexane, 1,2-dibromo-

By formula: C6H10 + Br2 = C6H10Br2

Quantity Value Units Method Reference Comment
ΔrH°-140.71kJ/molCmLister, 1941gas phase; Heat of bromination at 300 K; ALS

Cycloheptene + Bromine = 1,2-Dibromocycloheptane

By formula: C7H12 + Br2 = C7H12Br2

Quantity Value Units Method Reference Comment
ΔrH°-127.4kJ/molCmLister, 1941gas phase; Heat of bromination at 300 K; ALS

1-Heptene + Bromine = C7H14Br2

By formula: C7H14 + Br2 = C7H14Br2

Quantity Value Units Method Reference Comment
ΔrH°-126.5kJ/molCmLister, 1941gas phase; Heat of bromination at 300 K; ALS

Cyclopentene + Bromine = Cyclopentane, 1,2-dibromo,trans-

By formula: C5H8 + Br2 = C5H8Br2

Quantity Value Units Method Reference Comment
ΔrH°-119.7 ± 2.5kJ/molCmLister, 1941gas phase; Halogenation at 27 C; ALS

Manganese, pentacarbonylmethyl- (cr) + 1.5Bromine (g) = manganese dibromide (cr) + 5Carbon monoxide (g) + Methane, bromo- (g)

By formula: C6H3MnO5 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 5CO (g) + CH3Br (g)

Quantity Value Units Method Reference Comment
ΔrH°-209. ± 3.kJ/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS

Manganese, acetylpentacarbonyl-, (OC-6-21)- (cr) + 1.5Bromine (g) = manganese dibromide (cr) + 6Carbon monoxide (g) + Methane, bromo- (g)

By formula: C7H3MnO6 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 6CO (g) + CH3Br (g)

Quantity Value Units Method Reference Comment
ΔrH°-161. ± 5.kJ/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS

Benzene, (bromomethyl)- + 0.5Hydrogen = Toluene + 0.5Bromine

By formula: C7H7Br + 0.5H2 = C7H8 + 0.5Br2

Quantity Value Units Method Reference Comment
ΔrH°-4. ± 2.kJ/molChydAshcroft, Carson, et al., 1963liquid phase; ALS

C10H22Mg (cr) + Hydrogen (g) + Bromine (l) = 2Neopentane (l) + Br2Mg (cr)

By formula: C10H22Mg (cr) + H2 (g) + Br2 (l) = 2C5H12 (l) + Br2Mg (cr)

Quantity Value Units Method Reference Comment
ΔrH°-669.6 ± 6.6kJ/molRSCAkkerman, Schat, et al., 1983MS

Ethene, tetrafluoro- + Bromine = 1,2-Dibromotetrafluoroethane

By formula: C2F4 + Br2 = C2Br2F4

Quantity Value Units Method Reference Comment
ΔrH°-161.0kJ/molCmLacher, Casali, et al., 1956gas phase; Heat of bromination; ALS

2Benzene, bromo- + Mercury(II) bromide = Mercury, diphenyl- + 2Bromine

By formula: 2C6H5Br + Br2Hg = C12H10Hg + 2Br2

Quantity Value Units Method Reference Comment
ΔrH°328.6 ± 3.3kJ/molCmChernick, Skinner, et al., 1956liquid phase; ALS

Dimanganese decacarbonyl (cr) + 2Bromine (g) = 2manganese dibromide (cr) + 10Carbon monoxide (g)

By formula: C10Mn2O10 (cr) + 2Br2 (g) = 2Br2Mn (cr) + 10CO (g)

Quantity Value Units Method Reference Comment
ΔrH°-263.6 ± 8.2kJ/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS

Hydrogen + 2Methane, bromo- = 2Methane + Bromine

By formula: H2 + 2CH3Br = 2CH4 + Br2

Quantity Value Units Method Reference Comment
ΔrH°-28. ± 3.kJ/molChydAdams, Carson, et al., 1966liquid phase; ALS

2-Butene, (Z)- + Bromine = Erythro-2,3-dibromobutane

By formula: C4H8 + Br2 = C4H8Br2

Quantity Value Units Method Reference Comment
ΔrH°-126.3 ± 0.84kJ/molCmConn, Kistiakowsky, et al., 1938gas phase; At 355 °K; ALS

2-Butene, 2-methyl- + Bromine = 2,3-dibromo-2-methylbutane

By formula: C5H10 + Br2 = C5H10Br2

Quantity Value Units Method Reference Comment
ΔrH°-127.2 ± 0.84kJ/molCmConn, Kistiakowsky, et al., 1938gas phase; At 355 °K; ALS

2-Butenedioic acid, 2-methyl-, (Z)- + Bromine = 2-Butenedioic acid, 2-methyl-, (E)- + Bromine

By formula: C5H6O4 + Br2 = C5H6O4 + Br2

Quantity Value Units Method Reference Comment
ΔrH°-5.1 ± 0.7kJ/molEqkJwo, Huang, et al., 1987solid phase; HPLC; ALS

Bromine + Ethene, chlorotrifluoro- = 1,2-Dibromo-1-chloro-1,2,2-trifluoroethane

By formula: Br2 + C2ClF3 = C2Br2ClF3

Quantity Value Units Method Reference Comment
ΔrH°-132.3kJ/molCmLacher, Casali, et al., 1956gas phase; Heat of bromination; ALS

Br3- + Bromine = (Br3- • Bromine)

By formula: Br3- + Br2 = (Br3- • Br2)

Quantity Value Units Method Reference Comment
ΔrH°38. ± 7.1kJ/molCIDTNizzi, Pommerening, et al., 1998gas phase; B

Manganese pentacarbonyl bromide (cr) + 0.5Bromine (g) = manganese dibromide (cr) + 5Carbon monoxide (g)

By formula: C5BrMnO5 (cr) + 0.5Br2 (g) = Br2Mn (cr) + 5CO (g)

Quantity Value Units Method Reference Comment
ΔrH°9.9 ± 1.8kJ/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS

Hydrogen + 2Ethyl bromide = 2Ethane + Bromine

By formula: H2 + 2C2H5Br = 2C2H6 + Br2

Quantity Value Units Method Reference Comment
ΔrH°23. ± 13.kJ/molChydAshcroft, Carson, et al., 1965liquid phase; ALS

Trichloromethane + Bromine = Hydrogen bromide + Methane, bromotrichloro-

By formula: CHCl3 + Br2 = HBr + CBrCl3

Quantity Value Units Method Reference Comment
ΔrH°-5.9 ± 0.4kJ/molEqkMendenhall, Golden, et al., 1973gas phase; ALS

Difluoromethane + Bromine = Hydrogen bromide + Methane, bromodifluoro-

By formula: CH2F2 + Br2 = HBr + CHBrF2

Quantity Value Units Method Reference Comment
ΔrH°-39.9 ± 0.3kJ/molEqkOkafo and Whittle, 1974gas phase; ALS

Carbon Tetrachloride + Bromine = bromine chloride + Methane, bromotrichloro-

By formula: CCl4 + Br2 = BrCl + CBrCl3

Quantity Value Units Method Reference Comment
ΔrH°37. ± 1.kJ/molEqkMendenhall, Golden, et al., 1973gas phase; ALS

Fluoroform + Bromine = Hydrogen bromide + Bromotrifluoromethane

By formula: CHF3 + Br2 = HBr + CBrF3

Quantity Value Units Method Reference Comment
ΔrH°-14.kJ/molEqkCorbett, Tarr, et al., 1963gas phase; At 298 K; ALS

Methane, tribromo- + Bromine = Hydrogen bromide + Carbon tetrabromide

By formula: CHBr3 + Br2 = HBr + CBr4

Quantity Value Units Method Reference Comment
ΔrH°-7. ± 3.kJ/molEqkKing, Golden, et al., 1971, 2gas phase; ALS

Hydrogen bromide + Bromotrifluoromethane = Fluoroform + Bromine

By formula: HBr + CBrF3 = CHF3 + Br2

Quantity Value Units Method Reference Comment
ΔrH°19.2 ± 1.0kJ/molEqkCoomber and Whittle, 1967gas phase; ALS

Methane + Bromine = Hydrogen bromide + Methane, bromo-

By formula: CH4 + Br2 = HBr + CH3Br

Quantity Value Units Method Reference Comment
ΔrH°-26.4 ± 0.7kJ/molEqkFerguson, Okafo, et al., 1973gas phase; ALS

Propane, 1,2-dibromo-2-methyl- = 1-Propene, 2-methyl- + Bromine

By formula: C4H8Br2 = C4H8 + Br2

Quantity Value Units Method Reference Comment
ΔrH°139.7 ± 0.46kJ/molCmSunner and Wulff, 1974liquid phase; ALS

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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.

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through September, 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 79Br2
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
RydbergFragments of additional Rydberg series converging to A 2Πu of Br2+.
↳missing citation
Rydberg series converging to X2 2Πg,3/2 of Br2+ : ν = 88306 1 - R/(n-δ)2 , δ = 2.416, 2.446, 2.591, 2.629, n = 5,6,7.
↳missing citation
Rydberg series converging to X1 2Πg,3/2 of Br2+ : ν = 85165 2 - R/(n-1.843)2 ,n=5,...,12.
↳missing citation
Rydberg series converging to X1 2Πg,3/2 of Br2+ : ν = 85165 2 - R/(n-1.938)2 ,n=5,...,18.
↳missing citation
Rydberg series converging to X1 2Πg,3/2 of Br2+ : ν = 85165 2 - R/(n-δ)2 , δ = 2.225, 2.422, 2.593, n = 5,...,20.
↳missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
N 76537 230 3         N ← X R 76491 H
↳missing citation
M 74060 241 3 H (0.3)        M ← X R 74019 H
↳missing citation
L 72727 218 3 H 3        L ← X R 72674 H
↳missing citation
Several groups of diffuse emission bands in the region 23600 - 50000 cm-1 have been assigned Venkateswarlu, 1947 to transitions from four states at 47000, 55534, 61444, 66500 cm-1 to various repulsive states arising from Br(2P3/2,1/2) + Br(2P3/2,1/2) .
↳Venkateswarlu, 1947
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
(K ) 4           (K) ← X 
↳Venkateswarlu, 1969
(K)  293 3 5         l → X R 62266 H
↳Haranath and Rao, 1958
(K )  426 3 5         M → X V 60879 H
↳Haranath and Rao, 1958
(K)  281 3 5         L → X R 59855 H
↳Haranath and Rao, 1958
  6          
↳Rao and Venkateswarlu, 1964
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
H (56820) 108 3 7 1.5        H → B (40890) 7
↳Verma, 1958
G 56337 (255) $eH         G → X $gR 56303 H
↳Haranath and Rao, 1958
F 52191 (120) 3 H         F → X 8 R 52090 H
↳Haranath and Rao, 1958
E 51634.0 150.9 3 0.495 9        E ↔ B 10 35724 3
↳Venkateswarlu and Verma, 1958; missing citation; Wieland, Tellinghuisen, et al., 1972
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
D 48499 162 3 0.29        D → B 32595
↳Venkateswarlu and Verma, 1958, 2
C 1Πu 1u (24000) 11          C 12 ← X (24000)
↳Cordes and Sponer, 1930; Aickin and Bayliss, 1938; Mulliken, 1940; Rees, 1947; Bayliss and Sullivan, 1954; Coxon, 1973
B 3Πu 0u+ 15902.47 167.607 Z 1.6361 13 -0.009369 0.059589 14 15 16 0.0004891  3.013E-08 17  2.67757 B ↔ X 12 18 16 R 15823.47 Z
↳missing citation; missing citation; Holzer, Murphy, et al., 1970; Barrow, Clark, et al., 1974; Ault, Howard, et al., 1975
A 3Πu 1u 13905 153 3 H 2.7 19  0.0588 20 21 (0.0008)    2.695 A ↔ X 12 18 21 R 13818 22
↳Horsley, 1967; missing citation; Coxon, 1972
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
X 1Σg+ 0 325.321 Z 1.0774 -0.002298 0.082107 23 0.0003187 -0.000001045 2.092E-08 17  2.28105 24  

Notes

1The interval of 3141 cm-1 between X1 2Π3/2 and X2 2Π1/2 of Br2+ derived from the Rydberg series does not agree with the value 2820 cm-1 from the photoelectron spectrum Cornford, Frost, et al., 1971. The discrepancy may be accounted for by assuming that instead of v'=0 as suggested in Venkateswarlu, 1969 the 2Π1/2 series listed here have v'=2 while the 2Π3/2 series have v'=1 (see 2).
2According to the photoionization and photoelectron value of the ionization potential (see 26) the five 2Π3/2 Rydberg series in the table refer to v'=l. Vibrational structure; see Venkateswarlu, 1969.
3Normal isotopic mixture.
4Extensive system of absorption bands in the region 59000 - 67000 cm-1; no analysis. This system may include transitions to the upper states of:
5a) emission systems of Haranath and Rao, 1958
6b) a long resonance series (63817 - 53779 cm-1).
7The vibrational analysis is doubtful since only v"=21-32 were observed. v00 (extrapolated) and Te are different from Verma, 1958 to allow for the new data on the B state Barrow, Clark, et al., 1974.
8System H-X of Haranath and Rao, 1958, not observed in absorption.
9ωeze= +0.000065; vibrational constants from the reanalysis Wieland, Tellinghuisen, et al., 1972 of the emission data of Venkateswarlu and Verma, 1958 and the absorption data of Briggs and Norrish, 1963. See 10 .
10It is not entirely certain that the lower state is B 3Πu,0+ and not A 3Πu,1.
11Several absorption continua beyond 19580 cm-1 corresponding to a number of electronic transitions including that to C 1Πu with maximum at 24000 cm-1.
12Also observed in magnetic circular dichroism Brith, Rowe, et al., 1975 and photofragment Oldman, Sander, et al., 1975 spectra. The latter authors confirm Mulliken's Mulliken, 1940 prediction that C 1Πu dissociates into 2Π3/2 + 2Π3/2 and observe evidence for several excited g states by two-photon photofragment studies near 28000 and 38000 cm-1.
13(for v≤8). Vibrational levels observed to v=55, dissociation limit (2P3/2+2P1/2) at 19579.76 cm-1 above X 1Σg+(v=0,J=0). See 16. Absorption in the B 0u+ continuum Bondybey, Bearder, et al., 1976.
14Hfs observed in v=12 (81Br2) and v=17(79Br2); see Eng and LaTourrette, 1974.
15Predissociation was observed Lum and McAfee, 1975, Lum and Hozack, 1975 for v=42, J=33 by the laser-molecular beam technique. B → X emitted in the recombination of Br(2P3/2) atoms shows strong enhancement of bands with 5<v'< 10 presumably on account of inverse predissociation Clyne, Coxon, et al., 1971. See also 18.
16RKR potential function and Franck-Condon factors Coxon, 1971, Barrow, Clark, et al., 1974. For the behavior of the potential function near the dissociation limit 13 see Goscinski, 1972, Yee and Stone, 1973, LeRoy, 1974.
17Dv and higher order constants in Barrow, Clark, et al., 1974.
18Estimated radiative lifetimes for A and B range from 1000 to 2000 and 12 to 70 μs, respectively Coxon, 1972, Coxon, 1973, Bondybey, Bearder, et al., 1976. For the B state Capelle, Sakurai, et al., 1971 find total lifetimes of the order of 1 μs; minima (~0.2 μs) occur for v=1 and 14 probably on account of predissociation. For lifetimes near the dissociation limit 13 of B see McAfee and Hozack, 1976.
19Convergence limit for 79Br2 at 15894.6 cm-1 above X 1Σg+ (v=0,J=0), corresponding to 2P3/2 + 2P3/2. A weak continuous spectrum joins onto the limit and overlaps the main absorption system B ← X; see Sulzmann, Bien, et al., 1967.
20Extrapolated from v=7; constants for v=0.. .6 have not been determined. Bv, Dv, Hv, and Λ-type doubling constants for v=7...24 in Coxon, 1972.
21RKR potential function and Franck-Condon factors Coxon, 1972.
22Based on ΔG'(v=0-7) from low-resolution emission spectra Clyne and Coxon, 1967 of normal Br2 and the origin of the 7-0 79Br2 band at 14739.14 cm-1 derived from Coxon, 1972 and Barrow, Clark, et al., 1974.
23RKR potential curve Coxon, 1971, Barrow, Clark, et al., 1974. Hfs observed Eng and LaTourrette, 1974 in v=4 (81Br2) and v=7 (79Br2).
24Raman sp. 29
25From Barrow, Clark, et al., 1974; corresponding values for 79,81Br2 and 81Br2 are 1.97082 and 1.97095 eV (short extrapolation of B 0u+)
26From photoionization Dibeler, Walker, et al., 1970; supported by measurements at different temperatures. In good agreement with 10.51 eV obtained by photoelectron spectroscopy Frost, McDowell, et al., 1967, Cornford, Frost, et al., 1971, Potts and Price, 1971. A slightly higher value, 10.56 eV, was derived Venkateswarlu, 1969 from the Rydberg series in the VUV. It is probable that this value refers to v'=1.
27System J-X of Haranath and Rao, 1958, not observed in absorption.
28(valid for v≤8).
29Resonance Raman spectra in the gas Holzer, Murphy, et al., 1970, 2, Baierl and Kiefer, 1975, in solid argon Ault, Howard, et al., 1975; pure rotational Raman spectrum Baierl, Hochenbleicher, et al., 1975.

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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.

Cox, Wagman, et al., 1984
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Weber, 1912
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Serullas, 1827
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Stull, 1947
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Pedley and Rylance, 1977
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Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [all data]

Hartley, Pritchard, et al., 1950
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Pedley and Skinner, 1959
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Pedley, Skinner, et al., 1957
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King, Golden, et al., 1971
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Connor, Zafarani-Moattar, et al., 1982
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Ashcroft, Carson, et al., 1963
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Akkerman, Schat, et al., 1983
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Lacher, Casali, et al., 1956
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Chernick, Skinner, et al., 1956
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Adams, Carson, et al., 1966
Adams, G.P.; Carson, A.S.; Laye, P.G., Thermochemistry of reductions caused by lithium aluminium hydride. Part 4.-Heat of formation of methyl bromide, Trans. Faraday Soc., 1966, 62, 1447-1449. [all data]

Jwo, Huang, et al., 1987
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Ashcroft, Carson, et al., 1965
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Mendenhall, Golden, et al., 1973
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Okafo and Whittle, 1974
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Corbett, Tarr, et al., 1963
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King, Golden, et al., 1971, 2
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Coomber and Whittle, 1967
Coomber, J.W.; Whittle, E., Bond dissociation energies from equilibrium studies. Part 1.-D(CF3-Br), D(C2F5-Br) and D(n-C3F7-Br), Trans. Faraday Soc., 1967, 63, 608-619. [all data]

Ferguson, Okafo, et al., 1973
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Sunner and Wulff, 1974
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Venkateswarlu, 1947
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Venkateswarlu, 1969
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Haranath and Rao, 1958
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Rao and Venkateswarlu, 1964
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Verma, 1958
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Venkateswarlu and Verma, 1958
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Wieland, Tellinghuisen, et al., 1972
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Cordes and Sponer, 1930
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Mulliken, 1940
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Rees, 1947
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Barrow, Clark, et al., 1974
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Horsley, 1967
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Coxon, 1972
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Cornford, Frost, et al., 1971
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Briggs and Norrish, 1963
Briggs, A.G.; Norrish, R.G.W., Transient absorption spectra of chlorine and bromine, Proc. R. Soc. London A, 1963, 276, 51. [all data]

Brith, Rowe, et al., 1975
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Oldman, Sander, et al., 1975
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Bondybey, Bearder, et al., 1976
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Eng and LaTourrette, 1974
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Lum and McAfee, 1975
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Lum and Hozack, 1975
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Clyne, Coxon, et al., 1971
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Coxon, 1971
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Goscinski, 1972
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Yee and Stone, 1973
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LeRoy, 1974
LeRoy, R.J., Long-range potential coefficients from RKR turning points: C6 and C8 for B(3Π0u+)-state Cl2, Br2, and I2, Can. J. Phys., 1974, 52, 246. [all data]

Capelle, Sakurai, et al., 1971
Capelle, G.; Sakurai, K.; Broida, H.P., Lifetimes and self-quenching cross sections of cibrational levels in the B state of bromine excited by a tunable dye laser, J. Chem. Phys., 1971, 54, 1728. [all data]

McAfee and Hozack, 1976
McAfee, K.B., Jr.; Hozack, R.S., Lifetimes and energy transfer near the dissociation limit in bromine, J. Chem. Phys., 1976, 64, 2491. [all data]

Sulzmann, Bien, et al., 1967
Sulzmann, K.G.P.; Bien, F.; Penner, S.S., Intensity and collision half-width measurements using a laser source. II. Continuum and line absorption of Br2 at 6328 A, J. Quant. Spectrosc. Radiat. Transfer, 1967, 7, 969. [all data]

Clyne and Coxon, 1967
Clyne, M.A.A.; Coxon, J.A., The emission spectra of Br2 and IBr formed in atomic recombination processes, J. Mol. Spectrosc., 1967, 23, 258. [all data]

Dibeler, Walker, et al., 1970
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Frost, McDowell, et al., 1967
Frost, D.C.; McDowell, C.A.; Vroom, D.A., Photoelectron spectra of the halogens and the hydrogen halides, J. Chem. Phys., 1967, 46, 4255. [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]

Holzer, Murphy, et al., 1970, 2
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]

Baierl and Kiefer, 1975
Baierl, P.; Kiefer, W., Hot band and isotopic structure in the resonance Raman spectrum of bromine vapor, J. Chem. Phys., 1975, 62, 306. [all data]

Baierl, Hochenbleicher, et al., 1975
Baierl, P.; Hochenbleicher, J.G.; Kiefer, W., Pure rotational Raman spectra of 79Br2 and 81Br2, Appl. Spectrosc., 1975, 29, 356. [all data]

Notes

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