Lithium bromide
- Formula: BrLi
- Molecular weight: 86.845
- IUPAC Standard InChI: InChI=1S/BrH.Li/h1H;/q;+1/p-1
- IUPAC Standard InChIKey: AMXOYNBUYSYVKV-UHFFFAOYSA-M
- CAS Registry Number: 7550-35-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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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, 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 | -36.800 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 53.616 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1966 |
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) | 2000. to 6000. |
|---|---|
| A | 8.812771 |
| B | 0.262697 |
| C | -0.029761 |
| D | 0.002536 |
| E | -0.070645 |
| F | -39.67579 |
| G | 63.80559 |
| H | -36.80000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1966 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -80.839 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 20.22 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -83.870 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 17.70 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1966 |
Liquid 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) | 823. to 2000. |
|---|---|
| A | 15.59990 |
| B | 4.087510×10-10 |
| C | -3.137042×10-10 |
| D | 7.685230×10-11 |
| E | 7.205000×10-12 |
| F | -85.48910 |
| G | 39.09921 |
| H | -80.83800 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1966 |
Solid 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 823. |
|---|---|
| A | 17.06060 |
| B | -19.57220 |
| C | 28.41489 |
| D | -7.738810 |
| E | -0.164690 |
| F | -88.87579 |
| G | 42.05719 |
| H | -83.87010 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1966 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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.
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 |
|---|---|---|---|---|---|
| 1021. to 1583. | 4.71497 | 6978.079 | -102.451 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
MS - José A. Martinho Simões
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.
Individual Reactions
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 |
(g) +
(cr) =
(g) +
(cr)
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 |
(g) +
(cr) =
(g) +
(cr)
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 |
+ C4H9Li =
+
By formula: C7H7Br + C4H9Li = C11H16 + BrLi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -80.8 ± 2.6 | kcal/mol | Cm | Fowell and Mortimer, 1961 | liquid phase; ALS |
Gas phase ion energetics data
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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
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 196. | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 189.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
| EA (eV) | Reference | Comment |
|---|---|---|
| 0.660 ± 0.040 | Miller, Leopold, et al., 1986 | Extrapolated by polarizability and radius from experimental data.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.3 | EI | Bloom and Williams, 1981 | LLK |
| 8.7 | PE | Potts and Lee, 1979 | LLK |
| 9.4 | EI | Berkowitz, Tasman, et al., 1962 | RDSH |
| 9.43 ± 0.05 | PE | Potts and Lee, 1979 | Vertical value; LLK |
| 10.0 | PE | Goodman, Allen, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| Li+ | 9.9 | Br | EI | Berkowitz, Tasman, et al., 1962 | RDSH |
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, 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 January, 1977
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Peaks in the electron energy loss spectrum at 6.9 and 8.5 eV Geiger and Pfeiffer, 1968. Continuous absorption above 33000 cm-1, first maximum at ~39000 cm-1. 1 | ||||||||||||
| A 2 | A ← X | |||||||||||
| ↳Berry and Klemperer, 1957 | ||||||||||||
| X 1Σ+ | 0 | 563.16 | 3.53 3 | 0.02 | 0.5553990 | 0.0056442 4 | 0.0000244 | 2.159E-6 | 2.170427 5 | |||
| ↳Klemperer and Rice, 1957; Klemperer, Norris, et al., 1960 | ||||||||||||
| Rotation sp. | ||||||||||||
| ↳Honig, Mandel, et al., 1954; Rusk and Gordy, 1962; Hebert, Breivogel, et al., 1964 | ||||||||||||
| Mol. beam rf electric reson. 6 | ||||||||||||
| ↳Hebert, Breivogel, et al., 1964; Hebert and Street, 1969; Hilborn, Gallagher, et al., 1972 | ||||||||||||
| Mol. beam magn. reson. 7 | ||||||||||||
| ↳Mehran, Brooks, et al., 1966 | ||||||||||||
Notes
| 1 | Absorption cross sections Davidovits and Brodhead, 1967. |
| 2 | Diffuse absorption bands at 31560, 31018, 30467, 29879, (29442) cm-1 |
| 3 | Vibrational constants from the infrared spectrum of the natural isotopic mixture. |
| 4 | Rotational constants evaluated Hebert, Breivogel, et al., 1964 from the microwave results for 6Li79Br. |
| 5 | Rot.-vibr. Sp. 10 |
| 6 | Dipole moment of 6Li79Br: μel[D] = 7.2262 + 0.0832(v+1/2) + 0.00057(v+1/2)2 Hebert, Breivogel, et al., 1964. For electric quadrupole and other hyperfine coupling constants of the various isotopes see Hebert, Breivogel, et al., 1964, Hebert and Street, 1969, Hilborn, Gallagher, et al., 1972. The Zeeman spectrum was studied by the electric resonance method Cecchi and Ramsey, 1974; gJ(7Li79Br) = 0.11206 superseding an earlier value by the magnetic resonance method Mehran, Brooks, et al., 1966; also 79,81Br nuclear magnetic moments. |
| 7 | Li nuclear reorientation spectrum Kusch, 1949, Logan, Cote, et al., 1952, Kusch, 1959. |
| 8 | Thermochemical value Brewer and Brackett, 1961, Bulewicz, Phillips, et al., 1961. |
| 9 | Maximum of a very broad photoelectron peak with two additional ill-defined peaks at 10.6 and 11.6 eV, the latter possibly due to the dimer (LiBr)2 Goodman, Allen, et al., 1974. |
| 10 | For IR spectrum in inert gas matrices see Schlick and Schnepp, 1964. |
References
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, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]
Holm, 1974
Holm, T.,
J. Organometal. Chem., 1974, 77, 27. [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]
Liebman, Martinho Simões, et al., 1995
Liebman, J.F.; Martinho Simões, J.A.; Slayden, S.W.,
In Lithium Chemistry: A Theoretical and Experimental Overview Wiley: New York, Sapse, A.-M.; Schleyer, P. von Ragué, ed(s)., 1995. [all data]
Fowell and Mortimer, 1961
Fowell, P.A.; Mortimer, C.T.,
735. Heats of formation and bond energies. Part V. n-Butyl-lithium,
J. Chem. Soc., 1961, 3793-3796. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Miller, Leopold, et al., 1986
Miller, T.M.; Leopold, D.G.; Murray, K.K.; Lineberger, W.C.,
Electron Affinities of the Alkali Halides and the Structure of their Negative Ions,
J. Chem. Phys., 1986, 85, 5, 2368, https://doi.org/10.1063/1.451091
. [all data]
Bloom and Williams, 1981
Bloom, H.; Williams, D.J.,
A mass spectrometric study of the vapors above the molten salt systems LiCl-CuCl, LiBr-CuBr, and NaI-CuI,
J. Chem. Phys., 1981, 75, 4636. [all data]
Potts and Lee, 1979
Potts, A.W.; Lee, E.P.F.,
Photoelectron spectra and electronic structure of lithium halide monomers and dimers,
J. Chem. Soc. Faraday Trans. 2, 1979, 75, 941. [all data]
Berkowitz, Tasman, et al., 1962
Berkowitz, J.; Tasman, H.A.; Chupka, W.A.,
Double-oven experiments with lithium halide vapors,
J. Chem. Phys., 1962, 36, 2170. [all data]
Goodman, Allen, et al., 1974
Goodman, T.D.; Allen, J.D., Jr.; Cusachs, L.C.; Schweitzer, G.K.,
The photoelectron spectra of gaseous alkali halides,
J. Electron Spectrosc. Relat. Phenom., 1974, 3, 289. [all data]
Geiger and Pfeiffer, 1968
Geiger, J.; Pfeiffer, H.-C.,
Untersuchung der Anregung innerer Elektronen von Alkalihalogenidmolekulen im Energieverlustspektrum von 25 keV-Elektronen,
Z. Phys., 1968, 208, 105. [all data]
Berry and Klemperer, 1957
Berry, R.S.; Klemperer, W.,
Spectra of the alkali halides. III. Electronic spectra of lithium chloride, lithium bromide, and lithium iodide,
J. Chem. Phys., 1957, 26, 724. [all data]
Klemperer and Rice, 1957
Klemperer, W.; Rice, S.A.,
Infrared spectra of the alkali halides. I. Lithium halides,
J. Chem. Phys., 1957, 26, 618. [all data]
Klemperer, Norris, et al., 1960
Klemperer, W.; Norris, W.G.; Buchler, A.; Emslie, A.G.,
Infrared spectra of lithium halide monomers,
J. Chem. Phys., 1960, 33, 1534. [all data]
Honig, Mandel, et al., 1954
Honig, A.; Mandel, M.; Stitch, M.L.; Townes, C.H.,
Microwave spectra of the alkali halides,
Phys. Rev., 1954, 96, 629. [all data]
Rusk and Gordy, 1962
Rusk, J.R.; Gordy, W.,
Millimeter wave molecular beam spectroscopy: alkali bromides and iodides,
Phys. Rev., 1962, 127, 817. [all data]
Hebert, Breivogel, et al., 1964
Hebert, A.J.; Breivogel, F.W., Jr.; Street, K., Jr.,
Radio-frequency and microwave spectra of LiBr by the molecular-beam electric-resonance method,
J. Chem. Phys., 1964, 41, 2368. [all data]
Hebert and Street, 1969
Hebert, A.J.; Street, K., Jr.,
Nuclear-quadrupole ratio of bromine isotopes in molceular LiBr,
Phys. Rev., 1969, 178, 205. [all data]
Hilborn, Gallagher, et al., 1972
Hilborn, R.C.; Gallagher, T.F., Jr.; Ramsey, N.F.,
Hyperfine structure of 7Li79,81Br by molecular-beam electric resonance,
J. Chem. Phys., 1972, 56, 855. [all data]
Mehran, Brooks, et al., 1966
Mehran, F.; Brooks, R.A.; Ramsey, N.F.,
Rotational magnetic moments of alkali-halide molecules,
Phys. Rev., 1966, 141, 93. [all data]
Davidovits and Brodhead, 1967
Davidovits, P.; Brodhead, D.C.,
Ultraviolet absorption cross sections for the alkali halide vapors,
J. Chem. Phys., 1967, 46, 2968. [all data]
Cecchi and Ramsey, 1974
Cecchi, J.L.; Ramsey, N.F.,
Molecular Zeeman spectra of 6,7Li 79,81Br,
J. Chem. Phys., 1974, 60, 53. [all data]
Kusch, 1949
Kusch, P.,
On the nuclear electric quadrupole moment of Li6,
Phys. Rev., 1949, 75, 887. [all data]
Logan, Cote, et al., 1952
Logan, R.A.; Cote, R.E.; Kusch, P.,
The sign of the quadrupole interaction energy in diatomic molecules,
Phys. Rev., 1952, 86, 280. [all data]
Kusch, 1959
Kusch, P.,
Nuclear reorientation spectrum of Li7 in the gaseous monomers and dimers of the lithium halides,
J. Chem. Phys., 1959, 30, 52. [all data]
Brewer and Brackett, 1961
Brewer, L.; Brackett, E.,
The dissociation energies of gaseous alkali halides,
Chem. Rev., 1961, 61, 425. [all data]
Bulewicz, Phillips, et al., 1961
Bulewicz, E.M.; Phillips, L.F.; Sugden, T.M.,
Determination of dissociation constants and heats of formation of simple molecules by flame photometry. Part 8. Stabilities of the gaseous diatomic halides of certain metals,
Trans. Faraday Soc., 1961, 57, 921. [all data]
Schlick and Schnepp, 1964
Schlick, S.; Schnepp, O.,
Infrared spectra of the lithium halide monomers and dimers in inert matrices at low temperature,
J. Chem. Phys., 1964, 41, 463. [all data]
Notes
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
- Symbols used in this document:
AE Appearance energy EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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