Bromine

Formula: Br₂
Molecular weight: 159.808
IUPAC Standard InChI: InChI=1S/Br2/c1-2
IUPAC Standard InChIKey: GDTBXPJZTBHREO-UHFFFAOYSA-N
CAS Registry Number: 7726-95-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Other names: Br2; Brom; Brome; Bromo; Broom; UN 1744; Dibromine
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Information on this page:
Other data available:
- Reaction thermochemistry data: reactions 51 to 55
- Mass spectrum (electron ionization)
Data at other public NIST sites:
- Gas Phase Kinetics Database
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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, References, Notes

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	7.388 ± 0.026	kcal/mol	Review	Cox, Wagman, et al., 1984	CODATA Review value
Δ_fH°_gas	7.388	kcal/mol	Review	Chase, 1998	Data last reviewed in June, 1982
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	58.668 ± 0.001	cal/mol*K	Review	Cox, Wagman, et al., 1984	CODATA Review value
S°_{gas,1 bar}	58.647	cal/mol*K	Review	Chase, 1998	Data last reviewed in June, 1982

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.

Temperature (K)	332.503 to 3400.	3400. to 6000.
A	9.208229	8.363500
B	-0.472475	2.211341
C	0.364748	-0.564433
D	-0.047418	0.036887
E	-0.044411	-10.29550
F	4.511521	-1.784841
G	69.66690	65.39921
H	7.387670	7.387670
Reference	Chase, 1998	Chase, 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, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, References, Notes

Quantity	Value	Units	Method	Reference	Comment
S°_liquid	36.379 ± 0.072	cal/mol*K	Review	Cox, Wagman, et al., 1984	CODATA Review value

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, References, Notes

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
T_fus	266.0	K	N/A	Weber, 1912	Uncertainty assigned by TRC = 0.3 K; TRC
T_fus	254.15	K	N/A	Serullas, 1827	Uncertainty assigned by TRC = 10. K; TRC

Enthalpy of vaporization

Δ_vapH (kcal/mol)	Temperature (K)	Method	Reference	Comment
7.12	358.	N/A	Blair and Ihle, 1973	Based on data from 343. to 383. K.; AC
7.48	312.	N/A	Fischer and Bingle, 1955	Based on data from 297. to 389. K.; AC
4.21	206.	C	Giauque and Wiebe, 1928	AC

Antoine Equation Parameters

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

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Temperature (K)	A	B	C	Reference	Comment
343. to 383.	4.70256	1562.264	0.628	Blair and Ihle, 1973	Coefficents calculated by NIST from author's data.
224.5 to 331.4	2.93958	638.258	-115.144	Stull, 1947	Coefficents 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, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, References, Notes

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) = (solution) + (cr)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-35.8 ± 2.8	kcal/mol	N/A	Nolan, López de la Vega, et al., 1986	solvent: 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), -60.7 ± 2.0 kcal/mol, and Mo(Cp)(CO)3(Br)(cr) + Br2(solution) = Mo(Cp)(CO)2(Br)3(solution) + CO(solution), -24.9 ± 2.0 kcal/mol; MS

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-42.2 ± 4.1	kcal/mol	N/A	Nolan, López de la Vega, et al., 1986	solvent: 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), -92.0 ± 1.0 kcal/mol, and Mo(Cp)(CO)3(Br)(cr) + Br2(solution) = Mo(Cp)(CO)2(Br)3(solution) + CO(solution), -24.9 ± 2.0 kcal/mol; MS

+ Bromine = ( • Bromine )

By formula: Br^- + Br₂ = (Br^- • Br₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	30.4 ± 1.7	kcal/mol	CIDT	Nizzi, Pommerening, et al., 1998	gas phase; B
Δ_rH°	33.70	kcal/mol	N/A	Check, Faust, et al., 2001	gas phase; Fe-; ; ΔS(EA)=5.8; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	22.50	kcal/mol	N/A	Check, Faust, et al., 2001	gas phase; Fe-; ; ΔS(EA)=5.8; B

+ Bromine =

By formula: C₄H₈ + Br₂ = C₄H₈Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-28.90	kcal/mol	Cm	Lister, 1941	gas phase; Heat of bromination at 300 K; ALS
Δ_rH°	-29.44 ± 0.20	kcal/mol	Cm	Conn, Kistiakowsky, et al., 1938	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.59 ± 0.20 kcal/mol; At 355 °K; ALS

+ Bromine =

By formula: C₄H₈ + Br₂ = C₄H₈Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-28.95 ± 0.20	kcal/mol	Cm	Conn, Kistiakowsky, et al., 1938	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.08 ± 0.20 kcal/mol; At 355 °K; ALS

+ Bromine =

By formula: C₂H₄ + Br₂ = C₂H₄Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-28.90 ± 0.30	kcal/mol	Cm	Conn, Kistiakowsky, et al., 1938	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.06 ± 0.30 kcal/mol; At 355 °K; ALS

+ Bromine =

By formula: C₃H₆ + Br₂ = C₃H₆Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-29.27 ± 0.20	kcal/mol	Cm	Conn, Kistiakowsky, et al., 1938	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.41 ± 0.20 kcal/mol; At 355 °K; ALS

+ = + Bromine

By formula: HBr + C₇H₇Br = C₇H₈ + Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.1 ± 1.0	kcal/mol	Eqk	Benson and Buss, 1957	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 8.0 ± 0.9 kcal/mol; ALS

= + Bromine

By formula: CBr₂O = CO + Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.10 ± 0.10	kcal/mol	Eqk	Dunning and Pritchard, 1972	gas phase; ALS
Δ_rH°	1.0 ± 0.1	kcal/mol	Eqk	Schumacher and Bergmann, 1931	gas phase; ALS

(l) + 3 Bromine (l) = Br₃In (cr) + 3 (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-159.0 ± 1.0	kcal/mol	RSC	Clarke and Price, 1968	Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

(l) + 2 Bromine (l) = 2 (g) + (cr)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-72.20 ± 0.60	kcal/mol	RSC	Hartley, Pritchard, et al., 1950	Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

(l) + Bromine (g) = (l) + C₃H₉BrSn (l)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-54.2 ± 0.2	kcal/mol	RSC	Pedley and Skinner, 1959	Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

(l) + Bromine (g) = C₃H₉BrSn (l) + (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-48.30 ± 0.69	kcal/mol	RSC	Pedley, Skinner, et al., 1957	Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

C₈H₆MoO₃ (cr) + 2 Bromine (solution) = C₇H₅Br₃MoO₂ (solution) + (solution) + (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-60.7 ± 2.0	kcal/mol	RSC	Nolan, López de la Vega, et al., 1986	solvent: Carbon tetrachloride; MS

+ Bromine = +

By formula: C₃H₄O₄ + Br₂ = HBr + C₃H₃BrO₄

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-15.8 ± 0.69	kcal/mol	Cm	Koros, Orban, et al., 1979	liquid phase; solvent: Sulfuric acid (1M); Bromination; ALS

(l) + Bromine (l) = 2C₃H₉BrSn (l)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-70.24 ± 0.50	kcal/mol	RSC	Pedley, Skinner, et al., 1957	Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-92.0 ± 1.0	kcal/mol	RSC	Nolan, López de la Vega, et al., 1986	solvent: Carbon tetrachloride; MS

+ = + Bromine

By formula: HBr + C₃H₅BrO = C₃H₆O + Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.4 ± 2.0	kcal/mol	Eqk	King, Golden, et al., 1971	gas phase; Heat of bromination at 516-618 K; ALS

(cr) + Bromine (solution) = C₇H₅Br₃MoO₂ (solution) + (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-24.9 ± 2.0	kcal/mol	RSC	Nolan, López de la Vega, et al., 1986	solvent: Carbon tetrachloride; MS

C₁₂H₇MnO₅ (cr) + 1.5 Bromine (g) = (g) + (cr) + 5 (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-46.5 ± 1.9	kcal/mol	HAL-HFC	Connor, Zafarani-Moattar, et al., 1982	MS

Bromine + =

By formula: Br₂ + C₈H₁₄ = C₈H₁₄Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-29.310	kcal/mol	Cm	Lister, 1941	gas phase; Heat of bromination at 300 K; ALS

C₆F₃MnO₅ (cr) + 1.5 Bromine (g) = (cr) + 5 (g) + (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-41.3 ± 0.7	kcal/mol	HAL-HFC	Connor, Zafarani-Moattar, et al., 1982	MS

C₇F₃MnO₆ (cr) + 1.5 Bromine (g) = (cr) + 6 (g) + (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-38.6 ± 0.5	kcal/mol	HAL-HFC	Connor, Zafarani-Moattar, et al., 1982	MS

+ Bromine =

By formula: C₆H₁₀ + Br₂ = C₆H₁₀Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-33.630	kcal/mol	Cm	Lister, 1941	gas phase; Heat of bromination at 300 K; ALS

+ Bromine =

By formula: C₇H₁₂ + Br₂ = C₇H₁₂Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-30.44	kcal/mol	Cm	Lister, 1941	gas phase; Heat of bromination at 300 K; ALS

+ Bromine = C₇H₁₄Br₂

By formula: C₇H₁₄ + Br₂ = C₇H₁₄Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-30.24	kcal/mol	Cm	Lister, 1941	gas phase; Heat of bromination at 300 K; ALS

+ Bromine =

By formula: C₅H₈ + Br₂ = C₅H₈Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-28.61 ± 0.60	kcal/mol	Cm	Lister, 1941	gas phase; Halogenation at 27 C; ALS

(cr) + 1.5 Bromine (g) = (cr) + 5 (g) + (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-50.0 ± 0.7	kcal/mol	HAL-HFC	Connor, Zafarani-Moattar, et al., 1982	MS

(cr) + 1.5 Bromine (g) = (cr) + 6 (g) + (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-38. ± 1.	kcal/mol	HAL-HFC	Connor, Zafarani-Moattar, et al., 1982	MS

+ 0.5 = + 0.5 Bromine

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-0.9 ± 0.5	kcal/mol	Chyd	Ashcroft, Carson, et al., 1963	liquid phase; ALS

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-160.0 ± 1.6	kcal/mol	RSC	Akkerman, Schat, et al., 1983	MS

+ Bromine =

By formula: C₂F₄ + Br₂ = C₂Br₂F₄

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-38.48	kcal/mol	Cm	Lacher, Casali, et al., 1956	gas phase; Heat of bromination; ALS

2 + = + 2 Bromine

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	78.53 ± 0.80	kcal/mol	Cm	Chernick, Skinner, et al., 1956	liquid phase; ALS

(cr) + 2 Bromine (g) = 2 (cr) + 10 (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-63.0 ± 2.0	kcal/mol	HAL-HFC	Connor, Zafarani-Moattar, et al., 1982	MS

+ 2 = 2 + Bromine

By formula: H₂ + 2CH₃Br = 2CH₄ + Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-6.6 ± 0.6	kcal/mol	Chyd	Adams, Carson, et al., 1966	liquid phase; ALS

+ Bromine =

By formula: C₄H₈ + Br₂ = C₄H₈Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-30.18 ± 0.20	kcal/mol	Cm	Conn, Kistiakowsky, et al., 1938	gas phase; At 355 °K; ALS

+ Bromine =

By formula: C₅H₁₀ + Br₂ = C₅H₁₀Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-30.40 ± 0.20	kcal/mol	Cm	Conn, Kistiakowsky, et al., 1938	gas phase; At 355 °K; ALS

+ Bromine = + Bromine

By formula: C₅H₆O₄ + Br₂ = C₅H₆O₄ + Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-1.2 ± 0.2	kcal/mol	Eqk	Jwo, Huang, et al., 1987	solid phase; HPLC; ALS

Bromine + =

By formula: Br₂ + C₂ClF₃ = C₂Br₂ClF₃

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-31.61	kcal/mol	Cm	Lacher, Casali, et al., 1956	gas phase; Heat of bromination; ALS

Br₃^- + Bromine = (Br₃^- • Bromine )

By formula: Br₃^- + Br₂ = (Br₃^- • Br₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.1 ± 1.7	kcal/mol	CIDT	Nizzi, Pommerening, et al., 1998	gas phase; B

(cr) + 0.5 Bromine (g) = (cr) + 5 (g)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.4 ± 0.43	kcal/mol	HAL-HFC	Connor, Zafarani-Moattar, et al., 1982	MS

+ 2 = 2 + Bromine

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	5.6 ± 3.0	kcal/mol	Chyd	Ashcroft, Carson, et al., 1965	liquid phase; ALS

+ Bromine = +

By formula: CHCl₃ + Br₂ = HBr + CBrCl₃

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-1.4 ± 0.1	kcal/mol	Eqk	Mendenhall, Golden, et al., 1973	gas phase; ALS

+ Bromine = +

By formula: CH₂F₂ + Br₂ = HBr + CHBrF₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-9.54 ± 0.07	kcal/mol	Eqk	Okafo and Whittle, 1974	gas phase; ALS

+ Bromine = +

By formula: CCl₄ + Br₂ = BrCl + CBrCl₃

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.8 ± 0.3	kcal/mol	Eqk	Mendenhall, Golden, et al., 1973	gas phase; ALS

+ Bromine = +

By formula: CHF₃ + Br₂ = HBr + CBrF₃

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-3.3	kcal/mol	Eqk	Corbett, Tarr, et al., 1963	gas phase; At 298 K; ALS

+ Bromine = +

By formula: CHBr₃ + Br₂ = HBr + CBr₄

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-1.7 ± 0.7	kcal/mol	Eqk	King, Golden, et al., 1971, 2	gas phase; ALS

+ = + Bromine

By formula: HBr + CBrF₃ = CHF₃ + Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	4.59 ± 0.25	kcal/mol	Eqk	Coomber and Whittle, 1967	gas phase; ALS

+ Bromine = +

By formula: CH₄ + Br₂ = HBr + CH₃Br

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-6.3 ± 0.2	kcal/mol	Eqk	Ferguson, Okafo, et al., 1973	gas phase; ALS

= + Bromine

By formula: C₄H₈Br₂ = C₄H₈ + Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	33.40 ± 0.11	kcal/mol	Cm	Sunner and Wulff, 1974	liquid phase; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Constants of diatomic molecules, References, Notes

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

Data compiled as indicated in comments:
B - John E. Bartmess
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

View reactions leading to Br₂⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	10.517 ± 0.003	eV	N/A	N/A	L

Electron affinity determinations

EA (eV)	Method	Reference	Comment
2.42002	ECD	Ayala, Wentworth, et al., 1981	Vertical Detachment Energy: 1.60 eV; B
2.60 ± 0.20	NBIE	Dispert and Lacmann, 1977	B
2.62 ± 0.20	Endo	Hughes, Lifschitz, et al., 1973	B
2.55 ± 0.10	NBIE	Baeda, 1972	B
2.51 ± 0.10	Endo	Chupka, Berkowitz, et al., 1971	B
2.87 ± 0.14	EIAE	DeCorpo and Franklin, 1971	From CBr₄; B
1.470 ± 0.050	NBIE	Hubers, Kleyn, et al., 1976	Stated electron affinity is the Vertical Detachment Energy; B

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.518 ± 0.003	TE	Yencha, Hopkirk, et al., 1995	LL
10.516 ± 0.005	TE	Ruscic and Berkowitz, 1994	LL
10.51 ± 0.02	PI	Monks, Stief, et al., 1994	LL
10.5 ± 0.3	EI	Lau and Hildenbrand, 1987	LBLHLM
10.515 ± 0.005	PE	Van Lonkhuyzen and De Lange, 1984	LBLHLM
10.55	PE	Kimura, Katsumata, et al., 1981	LLK
10.52	EVAL	Huber and Herzberg, 1979	LLK
10.8 ± 0.2	EI	Kaposi, Popovic, et al., 1977	LLK
10.51 ± 0.01	PE	Potts and Price, 1971	LLK
10.7 ± 0.1	EI	DeCorpo and Franklin, 1971	LLK
10.51	PE	Cornford, Frost, et al., 1971	LLK
10.52 ± 0.01	PI	Dibeler, Walker, et al., 1970	RDSH
10.56 ± 0.01	S	Venkateswarlu, 1968	RDSH
10.51	PE	Dyke, Josland, et al., 1984	Vertical value; LBLHLM
10.57	PE	Utsunomiya, Kobayashi, et al., 1976	Vertical value; LLK
10.92	PE	Utsunomiya, Kobayashi, et al., 1976	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
Br⁺	10.48 ± 0.02	Br^-	PI	Morrison, Hurzeler, et al., 1960	RDSH
Br⁺	10.38 ± 0.05	Br^-	EI	Frost and McDowell, 1960	RDSH
Br⁺	10.31	Br^-	PI	Watanabe, 1957	RDSH

Anion protonation reactions

+ =

By formula: Br^- + H⁺ = HBr

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	323.540 ± 0.050	kcal/mol	D-EA	Blondel, Cacciani, et al., 1989	gas phase; reported: 27129.170±0.015 cm-1; B
Δ_rH°	323.4 ± 2.1	kcal/mol	G+TS	Taft and Bordwell, 1988	gas phase; B
Δ_rH°	320.60	kcal/mol	N/A	Check, Faust, et al., 2001	gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	318.30 ± 0.15	kcal/mol	H-TS	Blondel, Cacciani, et al., 1989	gas phase; reported: 27129.170±0.015 cm-1; B
Δ_rG°	318.2 ± 2.0	kcal/mol	IMRE	Taft and Bordwell, 1988	gas phase; B
Δ_rG°	315.40	kcal/mol	N/A	Check, Faust, et al., 2001	gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References, Notes

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

+ Bromine = ( • Bromine )

By formula: Br^- + Br₂ = (Br^- • Br₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	30.4 ± 1.7	kcal/mol	CIDT	Nizzi, Pommerening, et al., 1998	gas phase
Δ_rH°	33.70	kcal/mol	N/A	Check, Faust, et al., 2001	gas phase; Fe-; ; ΔS(EA)=5.8
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	22.50	kcal/mol	N/A	Check, Faust, et al., 2001	gas phase; Fe-; ; ΔS(EA)=5.8

Br₃^- + Bromine = (Br₃^- • Bromine )

By formula: Br₃^- + Br₂ = (Br₃^- • Br₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.1 ± 1.7	kcal/mol	CIDT	Nizzi, Pommerening, et al., 1998	gas phase

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes

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

Data collected through September, 1976

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	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
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
Rydberg	Fragments of additional Rydberg series converging to A ²Π_u of Br₂⁺.
	↳missing citation
	Rydberg series converging to X₂ ²Π_g,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 ²Π_g,3/2 of Br₂⁺ : ν = 85165 2 - R/(n-1.843)² ,n=5,...,12.
	↳missing citation
	Rydberg series converging to X₁ ²Π_g,3/2 of Br₂⁺ : ν = 85165 2 - R/(n-1.938)² ,n=5,...,18.
	↳missing citation
	Rydberg series converging to X₁ ²Π_g,3/2 of Br₂⁺ : ν = 85165 2 - R/(n-δ)² , δ = 2.225, 2.422, 2.593, n = 5,...,20.
	↳missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
N	76537	230 3									N ← X R	76491 H
N	↳missing citation
M	74060	241 3 H	(0.3)								M ← X R	74019 H
M	↳missing citation
L	72727	218 3 H	3								L ← X R	72674 H
L	↳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(²P_3/2,1/2) + Br(²P_3/2,1/2) .
↳Venkateswarlu, 1947
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
(K ) 4											(K) ← X
(K ) 4	↳Venkateswarlu, 1969
(K)		293 3 5									l → X R	62266 H
(K)	↳Haranath and Rao, 1958
(K )		426 3 5									M → X V	60879 H
(K )	↳Haranath and Rao, 1958
(K)		281 3 5									L → X R	59855 H
	↳Haranath and Rao, 1958
		6
	↳Rao and Venkateswarlu, 1964
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
H	(56820)	108 3 7	1.5								H → B	(40890) 7
H	↳Verma, 1958
G	56337	(255) $eH									G → X $gR	56303 H
G	↳Haranath and Rao, 1958
F	52191	(120) 3 H									F → X 8 R	52090 H
F	↳Haranath and Rao, 1958
E	51634.0	150.9 3	0.495 9								E ↔ B 10	35724 3
E	↳Venkateswarlu and Verma, 1958; missing citation; Wieland, Tellinghuisen, et al., 1972
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
D	48499	162 3	0.29								D → B	32595
D	↳Venkateswarlu and Verma, 1958, 2
C ¹Π_u 1_u	(24000) 11										C 12 ← X	(24000)
C ¹Π_u 1_u	↳Cordes and Sponer, 1930; Aickin and Bayliss, 1938; Mulliken, 1940; Rees, 1947; Bayliss and Sullivan, 1954; Coxon, 1973
B ³Π_u 0_u⁺	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
B ³Π_u 0_u⁺	↳missing citation; missing citation; Holzer, Murphy, et al., 1970; Barrow, Clark, et al., 1974; Ault, Howard, et al., 1975
A ³Π_u1_u	13905	153 3 H	2.7 19		0.0588 20 21	(0.0008)				2.695	A ↔ X 12 18 21 R	13818 22
A ³Π_u1_u	↳Horsley, 1967; missing citation; Coxon, 1972
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
X ¹Σ_g⁺	0	325.321 Z	1.0774	-0.002298	0.082107 23	0.0003187	-0.000001045	2.092E-08 17		2.28105 24

Notes

The interval of 3141 cm^-1 between X₁ ²Π_3/2 and X₂ ²Π_1/2 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 ²Π_1/2 series listed here have v'=2 while the ²Π_3/2 series have v'=1 (see 2).

According to the photoionization and photoelectron value of the ionization potential (see 26) the five ²Π_3/2 Rydberg series in the table refer to v'=l. Vibrational structure; see Venkateswarlu, 1969.

Normal isotopic mixture.

Extensive system of absorption bands in the region 59000 - 67000 cm^-1; no analysis. This system may include transitions to the upper states of:

a) emission systems of Haranath and Rao, 1958

b) a long resonance series (63817 - 53779 cm^-1).

The vibrational analysis is doubtful since only v"=21-32 were observed. v₀₀ (extrapolated) and T_e are different from Verma, 1958 to allow for the new data on the B state Barrow, Clark, et al., 1974.

System H-X of Haranath and Rao, 1958, not observed in absorption.

ω_ez_e= +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 .

It is not entirely certain that the lower state is B ³Π_u,0+ and not A ³Π_u,1.

Several absorption continua beyond 19580 cm^-1 corresponding to a number of electronic transitions including that to C ¹Π_u with maximum at 24000 cm^-1.

Also 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 ¹Π_u dissociates into ²Π_3/2 + ²Π_3/2 and observe evidence for several excited g states by two-photon photofragment studies near 28000 and 38000 cm^-1.

(for v≤8). Vibrational levels observed to v=55, dissociation limit (²P_3/2+²P_1/2) at 19579.76 cm^-1 above X ¹Σ_g⁺(v=0,J=0). See 16. Absorption in the B 0_u⁺ continuum Bondybey, Bearder, et al., 1976.

Hfs observed in v=12 (⁸¹Br₂) and v=17(⁷⁹Br₂); see Eng and LaTourrette, 1974.

Predissociation 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(²P_3/2) atoms shows strong enhancement of bands with 5<v'< 10 presumably on account of inverse predissociation Clyne, Coxon, et al., 1971. See also 18.

RKR 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.

D_v and higher order constants in Barrow, Clark, et al., 1974.

Estimated 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.

Convergence limit for ⁷⁹Br₂ at 15894.6 cm^-1 above X ¹Σ_g⁺ (v=0,J=0), corresponding to ²P_3/2 + ²P_3/2. A weak continuous spectrum joins onto the limit and overlaps the main absorption system B ← X; see Sulzmann, Bien, et al., 1967.

Extrapolated from v=7; constants for v=0.. .6 have not been determined. B_v, D_v, H_v, and Λ-type doubling constants for v=7...24 in Coxon, 1972.

RKR potential function and Franck-Condon factors Coxon, 1972.

Based 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.

RKR potential curve Coxon, 1971, Barrow, Clark, et al., 1974. Hfs observed Eng and LaTourrette, 1974 in v=4 (⁸¹Br₂) and v=7 (⁷⁹Br₂).

Raman sp. 29

From Barrow, Clark, et al., 1974; corresponding values for ⁷⁹,⁸¹Br₂ and ⁸¹Br₂ are 1.9708₂ and 1.9709₅ eV (short extrapolation of B 0_u⁺)

From 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.

System J-X of Haranath and Rao, 1958, not observed in absorption.

(valid for v≤8).

Resonance 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

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]

Weber, 1912
Weber, H.C.P., J. Am. Chem. Soc., 1912, 34, 1294. [all data]

Serullas, 1827
Serullas, New Compounds of Bromine. Ethyl Bromide ("Ether Hydro-Bromique"), and Cyanogen Bromide ("Cyanure de Brome"). Solidification of Bromine and of Bromform ("Hydro-carbure de Brome"), Ann. Chim. Phys., 1827, 34, 95. [all data]

Blair and Ihle, 1973
Blair, A.; Ihle, H., The thermal decomposition and thermodynamic properties of uranium pentabromide, Journal of Inorganic and Nuclear Chemistry, 1973, 35, 11, 3795-3803, https://doi.org/10.1016/0022-1902(73)80071-5 . [all data]

Fischer and Bingle, 1955
Fischer, Jack; Bingle, James, The Vapor Pressure of Bromine from 24 to 116° ¹, J. Am. Chem. Soc., 1955, 77, 24, 6511-6512, https://doi.org/10.1021/ja01629a026 . [all data]

Giauque and Wiebe, 1928
Giauque, W.F.; Wiebe, R., THE HEAT CAPACITY OF HYDROGEN BROMIDE FROM 15°K. TO ITS BOILING POINT AND ITS HEAT OF VAPORIZATION. THE ENTROPY FROM SPECTROSCOPIC DATA, J. Am. Chem. Soc., 1928, 50, 8, 2193-2202, https://doi.org/10.1021/ja01395a018 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Nolan, López de la Vega, et al., 1986
Nolan, S.P.; López de la Vega, R.; Hoff, C.D., J. Organometal. Chem., 1986, 315, 187. [all data]

Nizzi, Pommerening, et al., 1998
Nizzi, K.E.; Pommerening, C.A.; Sunderlin, L.S., Gas-phase thermochemistry of polyhalide anions, J. Phys. Chem. A, 1998, 102, 39, 7674-7679, https://doi.org/10.1021/jp9824508 . [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]

Lister, 1941
Lister, M.W., Heats of organic reactions. X. Heats of bromination of cyclic olefins, J. Am. Chem. Soc., 1941, 63, 143-149. [all data]

Conn, Kistiakowsky, et al., 1938
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A., Heats of organic reactions. VII. Addition of halogens to olefins, J. Am. Chem. Soc., 1938, 60, 2764-2771. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Benson and Buss, 1957
Benson, S.W.; Buss, J.H., The thermodynamics of bromination of toluene and the heat of formation of the benzyl radical, J. Phys. Chem., 1957, 61, 104-109. [all data]

Dunning and Pritchard, 1972
Dunning, B.K.; Pritchard, H.O., The enthalpy of formation of bromophosgene, J. Chem. Thermodyn., 1972, 4, 213-218. [all data]

Schumacher and Bergmann, 1931
Schumacher, H.-J.; Bergmann, P., Die kinetik und photochemie des bromphosgens, Z. Phys. Chem., 1931, 13, 269-284. [all data]

Clarke and Price, 1968
Clarke, W.D.; Price, S.J.W., Can. J. Chem., 1968, 46, 1633. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [all data]

Hartley, Pritchard, et al., 1950
Hartley, K.; Pritchard, H.O.; Skinner, H.A., Thermochemistry of metallic alkyls. III.?mercury dimethyl and mercury methyl halides, Trans. Faraday Soc., 1950, 46, 1019, https://doi.org/10.1039/tf9504601019 . [all data]

Pedley and Skinner, 1959
Pedley, J.B.; Skinner, H.A., Thermochemistry of metallic alkyls. Part 9.?Heats of bromination of some organo-tin compounds, Trans. Faraday Soc., 1959, 55, 544, https://doi.org/10.1039/tf9595500544 . [all data]

Pedley, Skinner, et al., 1957
Pedley, J.B.; Skinner, H.A.; Chernick, C.L., Thermochemistry of metallic alkyls. Part 8.?Tin tetramethyl, and hexamethyl distannane, Trans. Faraday Soc., 1957, 53, 1612, https://doi.org/10.1039/tf9575301612 . [all data]

Koros, Orban, et al., 1979
Koros, E.; Orban, M.; Nagy, Z., Calorimetric studies on the Belousov-Zhabotinsky oscillatory chemical reaction, Acta Chim. Acad. Sci. Hung., 1979, 100, 449-461. [all data]

King, Golden, et al., 1971
King, K.D.; Golden, D.M.; Benson, S.W., Thermochemistry of the gas-phase equilibrium CH₃COCH₃ + Br₂ = CH₃COCH₂Br + HBr. The enthalpy of formation of bromoacetone, J. Chem. Thermodyn., 1971, 3, 129-134. [all data]

Connor, Zafarani-Moattar, et al., 1982
Connor, J.A.; Zafarani-Moattar, M.T.; Bickerton, J.; El-Saied, N.I.; Suradi, S.; Carson, R.; Al Takkhin, G.; Skinner, H.A., Organomet., 1982, 1, 1166. [all data]

Ashcroft, Carson, et al., 1963
Ashcroft, S.J.; Carson, A.S.; Pedley, J.B., Thermochemistry of reductions caused by lithium aluminium hydride. Part 2.-The heats of formation of benzyl bromide, benzyl iodide and the benzyl radical, Trans. Faraday Soc., 1963, 59, 2713-2717. [all data]

Akkerman, Schat, et al., 1983
Akkerman, O.S.; Schat, G.; Evers, E.A.I.M.; Bickelhaupt, F., Recl. Trav. Chim. Pays-Bas, 1983, 102, 109. [all data]

Lacher, Casali, et al., 1956
Lacher, J.R.; Casali, L.; Park, J.D., Reaction heats of organic halogen compounds V. The vapor phase bromination of tetrafluoroethylene and trifluorochloroethylene, J. Phys. Chem., 1956, 60, 608-610. [all data]

Chernick, Skinner, et al., 1956
Chernick, C.L.; Skinner, H.A.; Wadso, I., Thermochemistry of metallic alkyls. Part 7.-The heat of formation of mercury diphenyl, and of mercury phenyl chloride, Trans. Faraday Soc., 1956, 52, 1088-1093. [all data]

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
Jwo, J-J.; Huang, C-Y.; Chang, E-F.; Wu, R.R., Kinetic study of the bromine-catalyzed isomerization of methyl- and chloro-maleic acids in aqueous Ce(IV)-Br- -H₂SO₄ medium, J. Chin. Chem. Soc. (Taipei), 1987, 34, 247-256. [all data]

Ashcroft, Carson, et al., 1965
Ashcroft, S.J.; Carson, A.S.; Carter, W.; Laye, P.G., Thermochemistry of reductions caused by lithium aluminium hydride. Part 3.- The C-halogen bond dissociation energies in ethyl iodine and ethyl bromide, Trans. Faraday Soc., 1965, 61, 225-229. [all data]

Mendenhall, Golden, et al., 1973
Mendenhall, G.D.; Golden, D.M.; Benson, S.W., Thermochemistry of the bromination of carbon tetrachloride and the heat of formation of carbon tetrachloride, J. Phys. Chem., 1973, 77, 2707-2709. [all data]

Okafo and Whittle, 1974
Okafo, E.N.; Whittle, E., Bond dissociation energies from equilibrium studies. Part 5.-The equilibria Br₂ + CH₂F₂ = HBr + CHF₂Br and Br₂ + CH₃F = HBr + CH₂FBr. Determination of D(CHF₂-Br) and ΔH°f (CHF₂Br,g), Trans. Faraday Soc., 1974, 17, 1366-1375. [all data]

Corbett, Tarr, et al., 1963
Corbett, P.; Tarr, A.M.; Whittle, E., Vapour-phase bromination of fluoroform and methane, Trans. Faraday Soc., 1963, 59, 1609. [all data]

King, Golden, et al., 1971, 2
King, K.D.; Golden, D.M.; Benson, S.W., Kinetics and thermochemistry of the gas-phase bromination of bromoform. The C-H bond dissociation energy in CHBr₃ and the C-Br bond dissociation energy in CBr₄, J. Phys. Chem., 1971, 75, 987-989. [all data]

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
Ferguson, K.C.; Okafo, E.N.; Whittle, E., Bond dissociation energies from equilibrium studies Part 4.-The equilibrium Br₂ + CH₄ = HBr + CH₃Br. Determination of D(CH₃-Br) and ΔH_f°(CH₃Br,g), J. Chem. Soc. Faraday Trans. 1, 1973, 69, 295-301. [all data]

Sunner and Wulff, 1974
Sunner, S.; Wulff, C.A., The enthalpy of formation of 1,1-dibromo-2-methylpropane, J. Chem. Thermodyn., 1974, 6, 287-292. [all data]

Ayala, Wentworth, et al., 1981
Ayala, J.A.; Wentworth, W.E.; Chen, E.C.M., Electron attachment to halogens, J. Phys. Chem., 1981, 85, 768. [all data]

Dispert and Lacmann, 1977
Dispert, H.; Lacmann, K., Chemiionization in alkali-halogen reactions: Evidence for ion formation by alkali dimers, Chem. Phys. Lett., 1977, 47, 533. [all data]

Hughes, Lifschitz, et al., 1973
Hughes, B.M.; Lifschitz, C.; Tiernan, T.O., Electron affinities from endothermic negative-ion charge-transfer reactions. III. NO, NO₂, S₂, CS₂, Cl₂, Br₂, I₂, and C₂H, J. Chem. Phys., 1973, 59, 3162. [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]

DeCorpo and Franklin, 1971
DeCorpo, J.J.; Franklin, J.L., Electron affinities of the halogen molecules by dissociative electron attachment, J. Chem. Phys., 1971, 54, 1885. [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]

Yencha, Hopkirk, et al., 1995
Yencha, A.J.; Hopkirk, A.; Hiraya, A.; Donovan, R.J.; Goode, J.G.; Maier, R.R.J.; King, G.C.; Kvaran, A., Threshold photoelectron spectroscopy of Cl₂ and Br₂ up to 35 eV, J. Phys. Chem., 1995, 99, 7231. [all data]

Ruscic and Berkowitz, 1994
Ruscic, B.; Berkowitz, J., Threshold photoelectron spectrum of HOBr, J. Chem. Phys., 1994, 101, 9215. [all data]

Monks, Stief, et al., 1994
Monks, P.S.; Stief, L.J.; Krauss, M.; Kuo, S.C.; Klemm, R.B., A discharge flow-photoionization mass spectrometric study of HOBr (X<1>A'): Photoion yield spectrum, ionization energy, and thermochemistry, J. Chem. Phys., 1994, 100, 1902. [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]

Van Lonkhuyzen and De Lange, 1984
Van Lonkhuyzen, H.; De Lange, C.A., High-resolution UV photoelectron spectroscopy of diatomic halogens, Chem. Phys., 1984, 89, 313. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]

Kaposi, Popovic, et al., 1977
Kaposi, O.; Popovic, A.; Marsel, J., Mass spectrometric studies of tungsten bromides and oxybromides, J. Inorg. Nucl. Chem., 1977, 39, 1809. [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]

Cornford, Frost, et al., 1971
Cornford, A.B.; Frost, D.C.; McDowell, C.A.; Ragle, J.L.; Stenhouse, I.A., Photoelectron spectra of the halogens, J. Chem. Phys., 1971, 54, 2651. [all data]

Dibeler, Walker, et al., 1970
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E., Threshold for molecular photoionization of bromine, J. Chem. Phys., 1970, 53, 4715. [all data]

Venkateswarlu, 1968
Venkateswarlu, P., Vacuum ultraviolet spectrum of bromine molecule, Bull. Am. Phys. Soc., 1968, 13, 1666. [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]

Utsunomiya, Kobayashi, et al., 1976
Utsunomiya, C.; Kobayashi, T.; Nagakura, S., Photoelectron spectra of electron donor-acceptor complexes between bromine and alkylamines, Chem. Phys. Lett., 1976, 39, 245. [all data]

Morrison, Hurzeler, et al., 1960
Morrison, J.D.; Hurzeler, H.; Inghram, M.G.; Stanton, H.E., Threshold law for the probability of excitation of molecules by photon impact. A study of the photoionization efficiencies of Br₂, I₂, HI, and CH₃I, J. Chem. Phys., 1960, 33, 821. [all data]

Frost and McDowell, 1960
Frost, D.C.; McDowell, C.A., The ionization and dissociation of some halogen molecules by electron impact, Can. J. Chem., 1960, 38, 407. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [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]

Taft and Bordwell, 1988
Taft, R.W.; Bordwell, F.G., Structural and Solvent Effects Evaluated from Acidities Measured in Dimethyl Sulfoxide and in the Gas Phase, Acc. Chem. Res., 1988, 21, 12, 463, https://doi.org/10.1021/ar00156a005 . [all data]

Venkateswarlu, 1947
Venkateswarlu, P., Emission bands of halogens. Part IV. Diffuse bands of bromine, Proc. Indian Acad. Sci. Sect. A, 1947, 25, 138. [all data]

Venkateswarlu, 1969
Venkateswarlu, P., The vacuum ultraviolet spectrum of the bromine molecule, Can. J. Phys., 1969, 47, 2525. [all data]

Haranath and Rao, 1958
Haranath, P.B.V.; Rao, P.T., Band spectra of iodine, chlorine, and bromine in the spectral region 2400-1400 A, J. Mol. Spectrosc., 1958, 2, 428. [all data]

Rao and Venkateswarlu, 1964
Rao, Y.V.; Venkateswarlu, P., Vacuum ultraviolet resonance spectrum of Br₂ molecule, J. Mol. Spectrosc., 1964, 13, 288. [all data]

Verma, 1958
Verma, R.D., Emission spectrum of bromine excited in the presence of argon. Part III. The band system in the region 2660-2590 Å, Proc. Indian Acad. Sci. Sect. A, 1958, 47, 196. [all data]

Venkateswarlu and Verma, 1958
Venkateswarlu, P.; Verma, R.D., Emission spectrum of bromine excited in the presence of argon-Part I, Proc. Indian Acad. Sci. Sect. A, 1958, 46, 251. [all data]

Wieland, Tellinghuisen, et al., 1972
Wieland, K.; Tellinghuisen, J.B.; Nobs, A., The band systems E → B(4000-4360 Å) and F → X(2530-2740 Å) of ¹²⁷I₂ and ¹²⁹I₂, and the corresponding system E = B of Br₂ and Cl₂, J. Mol. Spectrosc., 1972, 41, 69. [all data]

Venkateswarlu and Verma, 1958, 2
Venkateswarlu, P.; Verma, R.D., Emission spectrum of bromine excited in the presence of argon. Part II. The band system in the region 3150-2970 Å, Proc. Indian Acad. Sci. Sect. A, 1958, 46, 416. [all data]

Cordes and Sponer, 1930
Cordes, H.; Sponer, H., Die molekulabsorption des chlors, broms, jodchlorids und jodbromids im aubersten ultraviolett, Z. Phys., 1930, 63, 334. [all data]

Aickin and Bayliss, 1938
Aickin, R.G.; Bayliss, N.S., The absorption spectrum of bromine vapour in the region 3400 A to 2200 A, Trans. Faraday Soc., 1938, 34, 1371. [all data]

Mulliken, 1940
Mulliken, R.S., Halogen molecule spectra. II. Interval relations and relative intensities in the long wave-length spectra, Phys. Rev., 1940, 57, 500. [all data]

Rees, 1947
Rees, A.L.G., Note on the interpretation of the visible absorption spectrum of bromine, Proc. Phys. Soc. London, 1947, 59, 1008. [all data]

Bayliss and Sullivan, 1954
Bayliss, N.S.; Sullivan, J.V., Vacuum ultraviolet absorption spectra of iodine and bromine, J. Chem. Phys., 1954, 22, 1615. [all data]

Coxon, 1973
Coxon, J.A., Chapt. 4. Low-lying electronic states of diatomic halogen molecules in Molecular Spectroscopy. Volume 1, Barrow,R.F.; Long,D.A.; Millen,D.J., ed(s)., The Chemical Society, Burlington House, London, W1V 0BN, 1973, 177-228. [all data]

Holzer, Murphy, et al., 1970
Holzer, W.; Murphy, W.F.; Bernstein, H.J., Resonance fluorescence of iodine, bromine, and chlorine gases obtained with argon-ion laser excitation, J. Chem. Phys., 1970, 52, 469. [all data]

Barrow, Clark, et al., 1974
Barrow, R.F.; Clark, T.C.; Coxon, J.A.; Yee, K.K., The B³Π_0u+ - X¹Σ_g⁺ system of Br₂ rotational analysis, Franck-Condon factors, and long range potential in the B_0u+ state, J. Mol. Spectrosc., 1974, 51, 428. [all data]

Ault, Howard, et al., 1975
Ault, B.S.; Howard, W.F.; Andrews, L., Laser-induced fluorescence and Raman spectra of chlorine and bromine molecules isolated in inert matrices, J. Mol. Spectrosc., 1975, 55, 217. [all data]

Horsley, 1967
Horsley, J.A., Rotational analysis of the A³Π_1u - X¹Σ_g⁺ system of bromine, J. Mol. Spectrosc., 1967, 22, 469. [all data]

Coxon, 1972
Coxon, J.A., The extreme red absorption spectrum of Br₂, A³Π(1_u) ← X¹Σ_g⁺, J. Mol. Spectrosc., 1972, 41, 548. [all data]

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
Brith, M.; Rowe, M.D.; Schnepp, O.; Stephens, P.J., The magnetic circular dichroism spectrum of the halogen molecules I₂, Br₂, Cl₂. Resolution of overlapping continua, Chem. Phys., 1975, 9, 57. [all data]

Oldman, Sander, et al., 1975
Oldman, R.J.; Sander, R.K.; Wilson, K.R., Photofragment spectrum of bromine, J. Chem. Phys., 1975, 63, 4252. [all data]

Bondybey, Bearder, et al., 1976
Bondybey, V.E.; Bearder, S.S.; Fletcher, C., Br₂B³Π(0_u⁺) excitation spectra and radiative lifetimes in rare gas solids, J. Chem. Phys., 1976, 64, 5243. [all data]

Eng and LaTourrette, 1974
Eng, R.S.; LaTourrette, J.T., Hyperfine spectra of bromine vapor near 633 nm, J. Mol. Spectrosc., 1974, 52, 269. [all data]

Lum and McAfee, 1975
Lum, R.M.; McAfee, K.B., Jr., Direct measurement of spontaneous predissociation using coaxial laser-molecular beams, J. Chem. Phys., 1975, 63, 5029. [all data]

Lum and Hozack, 1975
Lum, R.M.; Hozack, R.S., Identification of selectively excited transitions in Br₂ isotopes at 5145 Å, J. Mol. Spectrosc., 1975, 58, 325-327. [all data]

Clyne, Coxon, et al., 1971
Clyne, M.A.A.; Coxon, J.A.; Woon-Fat, A.R., Electronic excitation of bromine to the B³Π(0_u⁺) state in the recombination of ground state Br²P_2/3 atoms, Trans. Faraday Soc., 1971, 67, 3155. [all data]

Coxon, 1971
Coxon, J.A., The calculation of potential energy curves of diatomic molecules: application to halogen molecules, J. Quant. Spectrosc. Radiat. Transfer, 1971, 11, 443. [all data]

Goscinski, 1972
Goscinski, O., Outer vibrational turning points near dissociation in the B(³Π_0u⁺) state of Br₂ and Cl₂, Mol. Phys., 1972, 24, 655. [all data]

Yee and Stone, 1973
Yee, K.K.; Stone, T.J., Analysis of RKR long-range potentials of the B³Π_0u+ states of Br₂ and Cl₂, Mol. Phys., 1973, 26, 1169. [all data]

LeRoy, 1974
LeRoy, R.J., Long-range potential coefficients from RKR turning points: C₆ and C₈ for B(³Π_0u⁺)-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]

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]

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

Symbols used in this document:

AE	Appearance energy
EA	Electron affinity
IE (evaluated)	Recommended ionization energy
S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)
S°_liquid	Entropy of liquid at standard conditions
T_fus	Fusion (melting) point
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_vapH	Enthalpy of vaporization

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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