Hydrogen bromide
- Formula: BrH
- Molecular weight: 80.912
- IUPAC Standard InChIKey: CPELXLSAUQHCOX-UHFFFAOYSA-N
- CAS Registry Number: 10035-10-6
- 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: Hydrobromic acid; Anhydrous hydrobromic acid; HBr; Hydrogen bromide, anhydrous-; Acide bromhydrique; Acido bromidrico; Bromowodor; Bromwasserstoff; Broomwaterstof; UN 1048; UN 1788; Hydrogen monobromide
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- Information on this page:
- Other data available:
- Reaction thermochemistry data: reactions 51 to 76
- Henry's Law data
- IR Spectrum
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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°gas | -8.674 ± 0.038 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | -8.709 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1965 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 47.4904 ± 0.001 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 47.490 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1965 |
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. to 1100. | 1100. to 6000. |
---|---|---|
A | 7.579850 | 7.860691 |
B | -3.274360 | 0.674502 |
C | 5.582140 | -0.114253 |
D | -2.153091 | 0.007759 |
E | -0.006873 | -0.758833 |
F | -10.89260 | -12.53900 |
G | 57.37161 | 55.17679 |
H | -8.710101 | -8.710101 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in September, 1965 | Data last reviewed in September, 1965 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 186.1 | K | N/A | Dreisbach, 1955 | Uncertainty assigned by TRC = 0.02 K; TRC |
Tfus | 187.2 | K | N/A | Maass and Russell, 1918 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 187.15 | K | N/A | Beckmann and Waentig, 1910 | Uncertainty assigned by TRC = 1.5 K; TRC |
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 |
---|---|---|---|---|---|
134.3 to 206.7 | 4.01848 | 695.466 | -33.542 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
206.7 to 343.8 | 4.15014 | 754.969 | -25.086 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - José A. Martinho Simões
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
By formula: Br- + HBr = (Br- • HBr)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.6 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
ΔrH° | 17.5 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, ΔrH>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
ΔrS° | 22. | cal/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, ΔrH>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.9 ± 2.6 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.4 | 367. | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, ΔrH>; M |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 323.540 ± 0.050 | kcal/mol | D-EA | Blondel, Cacciani, et al., 1989 | gas phase; reported: 27129.170±0.015 cm-1; B |
ΔrH° | 323.4 ± 2.1 | kcal/mol | G+TS | Taft and Bordwell, 1988 | gas phase; B |
ΔrH° | 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 |
ΔrG° | 318.30 ± 0.15 | kcal/mol | H-TS | Blondel, Cacciani, et al., 1989 | gas phase; reported: 27129.170±0.015 cm-1; B |
ΔrG° | 318.2 ± 2.0 | kcal/mol | IMRE | Taft and Bordwell, 1988 | gas phase; B |
ΔrG° | 315.40 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4; B |
C8H6MoO3 (cr) + (solution) = (solution) + (cr)
By formula: C8H6MoO3 (cr) + Br2 (solution) = HBr (solution) + C8H5BrMoO3 (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -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 |
By formula: NO3- + HBr = (NO3- • HBr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 23. | cal/mol*K | N/A | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)HNO3, Entropy change calculated or estimated, DG<, ΔrH<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.4 ± 3.9 | kcal/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; Anchored to HBr..Br- in Caldwell and Kebarle, 1985.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.7 | 367. | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)HNO3, Entropy change calculated or estimated, DG<, ΔrH<; M |
By formula: I- + HBr = (I- • HBr)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.1 ± 2.0 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(I-)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.2 ± 2.6 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
10.2 | 300. | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(I-)SO2; M |
By formula: HBr + C3H6 = C3H7Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -20.43 | kcal/mol | Cm | Lacher, Kianpour, et al., 1957 | gas phase; ALS |
ΔrH° | -20.050 | kcal/mol | Cm | Lacher, Lea, et al., 1950 | gas phase; Heat of hydrobromination at 367°K; ALS |
ΔrH° | -20.10 ± 0.14 | kcal/mol | Cm | Lacher, Walden, et al., 1950 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -20.17 ± 0.24 kcal/mol; Heat of hydrobromination; ALS |
By formula: (Br- • O2S) + HBr = (Br- • HBr • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.2 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M |
By formula: (NO3- • HNO3) + HBr = (NO3- • HBr • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)2HNO3; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)2HNO3; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.2 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)2HNO3; M |
(g) + CH3BrMg (solution) = (solution) + Br2Mg (solution)
By formula: HBr (g) + CH3BrMg (solution) = CH4 (solution) + Br2Mg (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -65.61 ± 0.53 | kcal/mol | RSC | Holm, 1981 | solvent: Diethyl ether; The enthalpy of formation was calculated using the assumptions and the auxiliary data in Holm, 1981, except for the organic compound, whose enthalpy of formation was quoted from Pedley, 1994; MS |
By formula: (Br- • HBr) + HBr = (Br- • 2HBr)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.0 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
By formula: C4H4BrNO2 + 0.5H4N2 = HBr + C4H5NO2 + 0.5N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -62.22 ± 0.11 | kcal/mol | Cm | Howard and Skinner, 1966 | solid phase; solvent: Aqueous solution; Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -62.55 ± 0.11 kcal/mol; ALS |
By formula: CH3+ + HBr = (CH3+ • HBr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 55.4 | kcal/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M |
C4H9Li (l) + (g) = (l) + (cr)
By formula: C4H9Li (l) + HBr (g) = C4H10 (l) + BrLi (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -89.39 ± 0.48 | kcal/mol | RSC | Holm, 1974 | Please also see Pedley and Rylance, 1977. The reaction enthalpy was quoted from Pedley and Rylance, 1977. See Liebman, Martinho Simões, et al., 1995 for comments; MS |
By formula: HBr (g) + CH3Li (cr) = CH4 (g) + BrLi (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -75.84 ± 0.48 | kcal/mol | RSC | Holm, 1974 | Please also see Pedley and Rylance, 1977. The reaction enthalpy was quoted from Pedley and Rylance, 1977. See Liebman, Martinho Simões, et al., 1995 for comments; MS |
By formula: HBr (g) + C2H5Li (cr) = C2H6 (g) + BrLi (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -82.62 ± 0.48 | kcal/mol | RSC | Holm, 1974 | Please also see Pedley and Rylance, 1977. The reaction enthalpy was quoted from Pedley and Rylance, 1977. See Liebman, Martinho Simões, et al., 1995 for comments; MS |
(g) + C4H9Li (l) = (l) + (cr)
By formula: HBr (g) + C4H9Li (l) = C4H10 (l) + BrLi (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -84.30 ± 0.48 | kcal/mol | RSC | Holm, 1974 | Please also see Pedley and Rylance, 1977. The reaction enthalpy was quoted from Pedley and Rylance, 1977. See Liebman, Martinho Simões, et al., 1995 for comments; MS |
By formula: (NO3- • HBr) + HNO3 = (NO3- • HNO3 • HBr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 ± 2.0 | kcal/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.6 ± 2.8 | kcal/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; B |
By formula: HBr + C4H8 = C4H9Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -18.42 ± 0.12 | kcal/mol | Cm | Lacher, Billings, et al., 1952 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -18.3 ± 1.6 kcal/mol; Heat of Hydrobromination at 373 K; ALS |
By formula: HBr + C4H8 = C4H9Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -17.26 ± 0.12 | kcal/mol | Cm | Lacher, Billings, et al., 1952 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -17.3 ± 1.4 kcal/mol; Heat of hydrobromination at 373 K; ALS |
By formula: HBr + C4H8 = C4H9Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -20.04 ± 0.12 | kcal/mol | Cm | Lacher, Billings, et al., 1952 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -20.1 ± 1.8 kcal/mol; Heat of hydrobromination at 367 K; ALS |
By formula: HBr + C3H6 = C3H7Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -25.77 ± 0.32 | kcal/mol | Cm | Lacher, Kianpour, et al., 1957 | gas phase; ALS |
ΔrH° | -22.69 ± 0.16 | kcal/mol | Cm | Lacher, Walden, et al., 1950 | gas phase; Heat of hydrobromination; ALS |
By formula: (Br- • HBr) + O2S = (Br- • O2S • HBr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.9 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.9 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
By formula: C2H3BrO + H2O = HBr + C2H4O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -23.31 | kcal/mol | Cm | Devore and O'Neal, 1969 | liquid phase; Heat of hydrolysis; ALS |
ΔrH° | -23.06 | kcal/mol | Cm | Carson and Skinner, 1949 | liquid phase; ALS |
By formula: H2 + C3H7Br = HBr + C3H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -10.85 ± 0.22 | kcal/mol | Chyd | Davies, Lacher, et al., 1965 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -10.77 kcal/mol; ALS |
By formula: HBr + C7H7Br = C7H8 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
By formula: C3H6Br2 = HBr + C3H5Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.5 | kcal/mol | Eqk | Levanova, Rodova, et al., 1983 | liquid phase; Flow reactor; ALS |
ΔrH° | 16.7 ± 0.2 | kcal/mol | Eqk | Sharonov and Rozhnov, 1971 | gas phase; ALS |
+ 218.5 + 11.25 + = + 13 + 1.5
By formula: CBrN3O6 + 218.5H2O + 11.25O2 + C12H14O4 = HBr + 13CO2 + 1.5N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1517.74 ± 0.24 | kcal/mol | Ccr | Carpenter, Zimmer, et al., 1970 | liquid phase; The HBr is in 225H2O; ALS |
By formula: C2H5Br = HBr + C2H4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.20 ± 0.50 | kcal/mol | Eqk | Lane, Linnett, et al., 1953 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 19.1 kcal/mol; ALS |
C8H6MoO3 (cr) + 2 (solution) = C7H5Br3MoO2 (solution) + (solution) + (solution)
By formula: C8H6MoO3 (cr) + 2Br2 (solution) = C7H5Br3MoO2 (solution) + HBr (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -60.7 ± 2.0 | kcal/mol | RSC | Nolan, López de la Vega, et al., 1986 | solvent: Carbon tetrachloride; MS |
By formula: C3H4O4 + Br2 = HBr + C3H3BrO4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -15.8 ± 0.69 | kcal/mol | Cm | Koros, Orban, et al., 1979 | liquid phase; solvent: Sulfuric acid (1M); Bromination; ALS |
By formula: C7H9NO + C7H5BrO = HBr + C14H13NO2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -41.0 ± 0.2 | kcal/mol | Cac | Kiselev, Khuzyasheva, et al., 1979 | liquid phase; solvent: Benzene; ALS |
By formula: C7H9N + C7H5BrO = HBr + C14H13NO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -40.7 ± 0.2 | kcal/mol | Cac | Kiselev, Khuzyasheva, et al., 1979 | liquid phase; solvent: Benzene; ALS |
By formula: HBr + C3H5BrO = C3H6O + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.4 ± 2.0 | kcal/mol | Eqk | King, Golden, et al., 1971 | gas phase; Heat of bromination at 516-618 K; ALS |
By formula: HBr + C2F4 = C2HBrF4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -32.92 ± 0.18 | kcal/mol | Cm | Lacher, Lea, et al., 1950 | gas phase; Heat of hydrobromination at 367°K; ALS |
By formula: C7H5BrO + C6H7N = HBr + C13H11NO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -38.6 ± 0.2 | kcal/mol | Cac | Kiselev, Khuzyasheva, et al., 1979 | liquid phase; solvent: Benzene; ALS |
By formula: HBr + C2ClF3 = C2HBrClF3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -26.07 ± 0.23 | kcal/mol | Cm | Lacher, Lea, et al., 1950 | gas phase; Heat of hydrobromination at 367°K; ALS |
By formula: CBr2O + H2O = 2HBr + CO2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -49.06 ± 0.16 | kcal/mol | Cm | Anthoney, Finch, et al., 1970 | liquid phase; Heat of hydrolysis; ALS |
By formula: C2H4BrCl = HBr + C2H3Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.9 ± 0.2 | kcal/mol | Eqk | Busheva, Levanova, et al., 1980 | gas phase; Dehydrohalogenation; ALS |
(g) + C2H3BrMg (solution) = (solution) + Br2Mg (solution)
By formula: HBr (g) + C2H3BrMg (solution) = C2H4 (solution) + Br2Mg (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -70.29 ± 0.53 | kcal/mol | RSC | Holm, 1981 | solvent: Tetrahydrofuran; MS |
C4H9BrMg (solution) + (g) = (solution) + Br2Mg (solution)
By formula: C4H9BrMg (solution) + HBr (g) = C4H10 (solution) + Br2Mg (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -69.91 ± 0.53 | kcal/mol | RSC | Holm, 1981 | solvent: Diethyl ether; MS |
C4H9BrMg (solution) + (g) = (solution) + Br2Mg (solution)
By formula: C4H9BrMg (solution) + HBr (g) = C4H10 (solution) + Br2Mg (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -73.11 ± 0.53 | kcal/mol | RSC | Holm, 1981 | solvent: Diethyl ether; MS |
C5H11BrMg (solution) + (g) = (solution) + Br2Mg (solution)
By formula: C5H11BrMg (solution) + HBr (g) = C5H12 (solution) + Br2Mg (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -73.21 ± 0.53 | kcal/mol | RSC | Holm, 1981 | solvent: Diethyl ether; MS |
C19H15BrMg (solution) + (g) = (solution) + Br2Mg (solution)
By formula: C19H15BrMg (solution) + HBr (g) = C19H16 (solution) + Br2Mg (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -55.21 ± 0.53 | kcal/mol | RSC | Holm, 1981 | solvent: Diethyl ether; MS |
By formula: C3H5Br + H2O = HBr + C3H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.7 | kcal/mol | Cm | Gellner and Skinner, 1949 | liquid phase; Heat of hydrolysis; ALS |
By formula: C7H7Br + H2O = HBr + C7H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.9 | kcal/mol | Cm | Gellner and Skinner, 1949 | liquid phase; Heat of hydrloysis; ALS |
C3H7BrMg (solution) + (g) = (solution) + Br2Mg (solution)
By formula: C3H7BrMg (solution) + HBr (g) = C3H8 (solution) + Br2Mg (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -73.11 ± 0.53 | kcal/mol | RSC | Holm, 1981 | solvent: Diethyl ether; MS |
By formula: C7H5BrO + H2O = HBr + C7H6O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -27.04 | kcal/mol | Cm | Carson, Pritchard, et al., 1950 | liquid phase; Heat of hydrolysis; ALS |
(g) + C2H5BrMg (solution) = (solution) + Br2Mg (solution)
By formula: HBr (g) + C2H5BrMg (solution) = C2H6 (solution) + Br2Mg (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -71.51 ± 0.53 | kcal/mol | RSC | Holm, 1981 | solvent: Diethyl ether; MS |
= + C10H15N
By formula: C10H16N.Br = HBr + C10H15N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -21.0 ± 0.9 | kcal/mol | Cm | Arnett and Wernett, 1993 | liquid phase; solvent: DMSO; ALS |
By formula: HBr + C9H10 = C9H11Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -15.2 ± 1.3 | kcal/mol | Cm | Nesterova, Kovzel, et al., 1977 | liquid phase; Hydrobromination; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Mass spectrum (electron ionization), 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
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 HBr+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 11.68 ± 0.03 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 139.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 133.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.71 | PE | Kimura, Katsumata, et al., 1981 | LLK |
11.66 ± 0.02 | PI | Tiedemann, Anderson, et al., 1979 | LLK |
11.67 | EVAL | Huber and Herzberg, 1979 | LLK |
11.645 ± 0.005 | PE | Delwiche, Natalis, et al., 1973 | LLK |
11.677 ± 0.004 | DER | Haugh and Bayes, 1971 | LLK |
11.67 ± 0.01 | PE | Lempka, Passmore, et al., 1968 | RDSH |
11.71 ± 0.01 | PE | Frost, McDowell, et al., 1967 | RDSH |
11.68 ± 0.03 | PI | Watanabe, 1957 | RDSH |
De-protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 323.540 ± 0.050 | kcal/mol | D-EA | Blondel, Cacciani, et al., 1989 | gas phase; reported: 27129.170±0.015 cm-1; B |
ΔrH° | 323.4 ± 2.1 | kcal/mol | G+TS | Taft and Bordwell, 1988 | gas phase; B |
ΔrH° | 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 |
ΔrG° | 318.30 ± 0.15 | kcal/mol | H-TS | Blondel, Cacciani, et al., 1989 | gas phase; reported: 27129.170±0.015 cm-1; B |
ΔrG° | 318.2 ± 2.0 | kcal/mol | IMRE | Taft and Bordwell, 1988 | gas phase; B |
ΔrG° | 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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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
By formula: Br- + HBr = (Br- • HBr)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.6 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
ΔrH° | 17.5 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, ΔrH>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
ΔrS° | 22. | cal/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, ΔrH>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.9 ± 2.6 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.4 | 367. | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; From thermochemical cycle,switching reaction(Br-/NO3-HNO3/HBr); DG>, ΔrH>; M |
By formula: (Br- • HBr) + HBr = (Br- • 2HBr)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.0 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
By formula: (Br- • O2S) + HBr = (Br- • HBr • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.2 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br- HBr)SO2; M |
By formula: CH3+ + HBr = (CH3+ • HBr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 55.4 | kcal/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M |
By formula: HBr+ + HBr = (HBr+ • HBr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23. | kcal/mol | PI | Tiedemann, Anderson, et al., 1979 | gas phase; M |
By formula: I- + HBr = (I- • HBr)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.1 ± 2.0 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(I-)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.2 ± 2.6 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
10.2 | 300. | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(I-)SO2; M |
By formula: NO3- + HBr = (NO3- • HBr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 23. | cal/mol*K | N/A | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)HNO3, Entropy change calculated or estimated, DG<, ΔrH<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.4 ± 3.9 | kcal/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; Anchored to HBr..Br- in Caldwell and Kebarle, 1985.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.7 | 367. | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)HNO3, Entropy change calculated or estimated, DG<, ΔrH<; M |
By formula: (NO3- • HNO3) + HBr = (NO3- • HBr • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)2HNO3; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)2HNO3; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.2 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)2HNO3; M |
Mass spectrum (electron ionization)
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
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Chemical Concepts |
NIST MS number | 157480 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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 December, 1976
Symbol | Meaning |
---|---|
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) |
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
Numerous absorption bands above 11400 cm-1, tentatively assigned to higher members of two Rydberg series starting with L and M and converging to A 2Σ+ of Hbr+; I.P.[A 2Σ+, v=0]=123373 cm-1 (15.2964 eV). | ||||||||||||
M (1Σ+) | (109473) | [1308] 1 | M ← X | 108814 | ||||||||
↳missing citation | ||||||||||||
L (1Σ+, 1Π) | (104201) | [1262] 2 | L ← X | 103519 | ||||||||
↳missing citation | ||||||||||||
3 | ||||||||||||
↳Barrow and Stamper, 1961; Stamper, 1962 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
K 6 1 | (83902) | (2518) 4 | [8.195] | [22.0E-4] | [1.4375] | K ← X R | 83847.9 5 Z | |||||
↳Stamper, 1962 | ||||||||||||
J 6 1 | (81243) | (2502) 4 | [8.027] 7 | [3.61E-4] | [1.453] | J ← X R | 81180.7 8 Z | |||||
↳missing citation | ||||||||||||
I 6 1 | 80436 | (2525) 4 | [8.169] 9 | [10.4E-4] | [1.440] | I ← X R | 80385.6 10 Z | |||||
↳missing citation | ||||||||||||
g (3Σ-)0+ | (79253.2) 11 | [7.63] 12 | -17E-4 | [1.49] | g ← X R | 77940.0 Z | ||||||
↳missing citation; missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
F 1Δ | (78322.3) 11 | [8.20] | [1.437] | F ← X R | 77009.1 Z | |||||||
↳missing citation | ||||||||||||
f1 3Δ1 | (76814) 11 | [2299.7] Z | 8.027 | 0.213 | 1.453 | f1 ← X R | 76650.9 Z | |||||
↳Barrow and Stamper, 1961; missing citation | ||||||||||||
D 1Π | (76310) 13 | [2405.5] Z | 8.125 | 0.21 | 1.444 | D ← X R | 76199.4 Z | |||||
↳missing citation; missing citation | ||||||||||||
d0 3Π0 | (76193) | [2418.5] Z | [7.624] 14 | (0.32) | [1.4904] | d0 ← X R | 76088.8 Z | |||||
↳Barrow and Stamper, 1961; missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
E (3Σ+)0+ | (76691) 11 | [7.34] 15 | [1.519] | E ← X R | 75378 | |||||||
↳Ginter and Tilford, 1971 | ||||||||||||
V 1Σ+ | (75800) 16 | (790) 17 | V ↔ X 18 R | (74900) | ||||||||
↳Stamper and Barrow, 1961; missing citation | ||||||||||||
f2 3Δ2 | [75533.8] 11 | [8.675] 19 | [16.5E-4] 19 | [1.397] 5 | f2 ← X R | 74220.6 Z | ||||||
↳Barrow and Stamper, 1961; missing citation | ||||||||||||
f3 3Δ3 | [75403.1] 11 20 | [7.41] | [-7.6E-4] | [1.512] 5 | f3 ← X R | 74089.9 Z | ||||||
↳missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
e 3Σ+ | [75053] 11 21 | e ← X R | 73740 | |||||||||
↳Ginter and Tilford, 1971 | ||||||||||||
d1 3Π1 | [74855] 13 22 | d1 ← X R | 73542 | |||||||||
↳Barrow and Stamper, 1961; Ginter and Tilford, 1971 | ||||||||||||
d2 3Π2 | [74753] 13 22 | d2 ← X R | 73440 | |||||||||
↳Barrow and Stamper, 1961; Ginter and Tilford, 1971 | ||||||||||||
C 1Π | 70578 23 | 2552 Z | 52 | 7.89 | 0.30 | 1.465 | C ← X 24 R | 70527.6 Z | ||||
↳Barrow and Stamper, 1961; missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
b0 3Π0 0+ | (68998) 23 | [2452] | [7.996] 25 | [1.455] | b0 ← X R | 68911.2 Z | ||||||
↳Barrow and Stamper, 1961; missing citation | ||||||||||||
b0 3Π0 0- | b0 ← X R | 68904 26 H | ||||||||||
↳Barrow and Stamper, 1961; missing citation | ||||||||||||
b1 3Π1 | (67180) 23 | [2444.2] Z | 8.148 25 | 0.292 | 1.442 | b1 ← X R | 67088.4 Z | |||||
↳missing citation; missing citation | ||||||||||||
b2 3Π2 | [67663.0] 23 | [7.805] 25 | [1.473] | b2 ← X R | 66349.8 Z | |||||||
↳Barrow and Stamper, 1961; missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
A (1Π) 28 | 27 | A ← X | ||||||||||
↳Bates, Halford, et al., 1935; Goodeve and Taylor, 1935; Datta and Chakravarty, 1941; Romand, 1949; Huebert and Martin, 1968 | ||||||||||||
X 1Σ+ | 0 | 2648.975 29 Z | 45.2175 30 | -0.0029 | 8.464884 X | 0.23328 31 | 3.4575E-4 32 | 1.414435 33 | ||||
↳Rank, Fink, et al., 1965 | ||||||||||||
Rotation spectrum 34 35 | ||||||||||||
↳Hansler and Oetjen, 1953; Jones and Gordy, 1964; Van Dijk and Dymanus, 1969 | ||||||||||||
Raman sp. 36 | ||||||||||||
↳Cherlow, Hyatt, et al., 1975 | ||||||||||||
Mol. beam el. reson. 37 | ||||||||||||
↳Dabbousi, Meerts, et al., 1973 |
Notes
1 | v=0...4 observed. Assigned as 4pσ4pπ4 6sσ. 40 |
2 | v=0...3 observed. Assigned as 4pσ4pπ4 5pσ and/or 5pπ. 40 |
3 | Further absorption bands of doubtful assignment between 75200 and 83600 cm-1. |
4 | From the observed HBr-DBr isotope shift assuming that the observed bands are 0-0 bands. |
5 | Band [37] of Stamper, 1962. |
6 | I, J, K correspond to absorption bands with clear analogues in DBr. |
7 | Ω-type doubling, Δνef = +0.142J(J+1)- ...; B and D represent average values. |
8 | Band [28] of Barrow and Stamper, 1961. Sharp P, Q, R branches; the Q levels appear to be predissociated for J«gte»14. |
9 | missing note |
10 | Band [26] of Barrow and Stamper, 1961. |
11 | Configuration ... σ2π3 5pπ. |
12 | Perturbed at high J. |
13 | Configuration ... σ2π3 5pσ. |
14 | Slightly diffuse lines. |
15 | Perturbed. |
16 | Derived from H+ + Br-; configuration ... σπ4σ*. |
17 | Bands in emission above 46500 cm-1, in absorption above 75700. Incomplete analysis. |
18 | Heavily perturbed extensive band system. Absorption lines above 75923 cm-1 are diffuse. B' varies irregularly between 3.4 and 4.5 cm-1. |
19 | Average values for the two Ω-type doubling components. |
20 | Weak transition. |
21 | Very diffuse, unresolved band. |
22 | Diffuse band, rotational structure unresolved. |
23 | Configuration ... σ2π3 5sσ. |
24 | Very strong absorption, lines are diffuse. |
25 | Diffuse rotational structure. |
26 | Diffuse Q head. |
27 | Continous absorption statring at ~35000 with maximum at 56400 cm-1. |
28 | Configuration ... σ2π3 σ*. |
29 | These are Y10 and Y01 values; applying Dunham corrections Rank, Fink, et al., 1965 obtain we = 2649.215, Be = 8.465065. Additional corrections (adiabatic, non-adiabatic) are discussed by Bunker, 1972. The microwave B0 values of Jones and Gordy, 1964 was included in the evaluation of Be. See also 42 37 |
30 | missing note |
31 | +0.0008735(v+1/2)2 - 0.000120(v+1/2)3. |
32 | -0.0397E-4(v+1/2) + 0.0038(v+1/2)2; Hv = 7.63E-9 - 0.55E-9(v+1/2). |
33 | Rot.-vibr. Sp. 42 35 |
34 | Absolute intensities have been measured by Chamberlain and Gebbie, 1965. |
35 | For observations and measurements of pressure-induced bands and pure rotation lines (ΔJ=2) see Atwood, Vu, et al., 1967, Weiss and Cole, 1967. The pressure broadening of the lines has been studied by Babrov, 1964, Pourcin, Bachet, et al., 1967. |
36 | Raman cross sections in gaseous HBr. |
37 | The following constants (as well as corresponding values for H79Br) are given in Dabbousi, Meerts, et al., 1973: -μel(v=0,J=1) = 0.8265 D [in a later paper van Dijk and Dymanus, 1974 derive 0.8282 D from Stark effect of rotation spectrum]; -quadrupole and other hyperfine coupling constants; -gJ = 0.3712. These constants supersede earlier values of Schurin and Rollefson, 1957, Jones and Gordy, 1964, Tokuhiro, 1967, Van Dijk and Dymanus, 1969, van Dijk and Dymanus, 1970. |
38 | From D00(H2), D00(Br2), and ΔHf0 (HBr;from gaseous H2,Br2). |
39 | Average value from photoionization Watanabe, 1957 and photoelectron spectra Frost, McDowell, et al., 1967, Lempka, Passmore, et al., 1968; refers to X 2Π3/2 of the ion. A more recent paper Delwiche, Natalis, et al., 1972 gives 11.645 eV. |
40 | Strongly broadened by preionization; estimated lifetime against preionization 9.5E-15 s Terwilliger and Smith, 1975. |
41 | From R, P branches. Δνef = -0.04lJ(J+1). |
42 | In absorption the 1-0, 2-0, 3-0, 3-1, 4-0, 5-0, 6-0 bands have been studied Naude and Verleger, 1950, Thompson, Williams, et al., 1952, Plyler, 1960, Rank, Fink, et al., 1965, Bernage, Niay, et al., 1973; in emission 1-0, 2-1, 3-2, 4-3 Mould, Price, et al., 1960, James and Thibault, 1965. The constants in the table are from Rank, Fink, et al., 1965, those of James and Thibault, 1965, Bernage, Niay, et al., 1973 are very similar and of comparable accuracy. See also Ogilvie and Koo, 1976. Absolute intensities have been measured Babrov, 1964, Babrov, Shabott, et al., 1965, Rao and Lindquist, 1968, Gustafson and Rao, 1970 and the dipole moment function has been calculated; Urquhart, Clark, et al., 1972 give for H79Br[D, ]: μel(r) = +0.788 + 0.315(r-re) + 0.575(r-re)2; see also Jacobi, 1967, Tipping and Herman, 1970, Rao, 1971. |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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
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]
Dreisbach, 1955
Dreisbach, R.R.,
Physical Properties of Chemical Compounds, Advances in Chemistry Series No. 15, Am. Chem. Soc.: Washington, D. C., 1955. [all data]
Maass and Russell, 1918
Maass, O.; Russell, J.,
Unsaturation and molecular compound formation,
J. Am. Chem. Soc., 1918, 40, 1561-1573. [all data]
Beckmann and Waentig, 1910
Beckmann, E.; Waentig, P.,
Cryoscopic Measurements at Low Temperatures,
Z. Anorg. Chem., 1910, 67, 17. [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]
Caldwell and Kebarle, 1985
Caldwell, G.; Kebarle, P.,
The hydrogen bond energies of the bihalide ions XHX- and YHX-,
Can. J. Chem., 1985, 63, 1399. [all data]
Davidson, Fehsenfeld, et al., 1977
Davidson, J.A.; Fehsenfeld, F.C.; Howard, C.J.,
The heats of formation of NO3- and NO3- association complexes with HNO3 and HBr,
Int. J. Chem. Kinet., 1977, 9, 17. [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]
Check, Faust, et al., 2001
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Dehydrobromination of 2,2-dibromopropane,
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Ionization potentials of some molecules,
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Barrow, R.F.; Stamper, J.G.,
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Jacobi, N.,
Electrical anharmonicities of diatomic molecules,
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Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Constants of diatomic molecules, References
- Symbols used in this document:
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