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:
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Information on this page:
Other data available:
- Condensed phase thermochemistry data
- Phase change data
Data at other public NIST sites:
- Microwave spectra (on physics lab web site)
- X-ray Photoelectron Spectroscopy Database, version 5.0
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Gas phase thermochemistry data

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Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_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)

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)	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

Reaction thermochemistry data

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Data compiled as indicated in comments:
MS - José A. Martinho Simões
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

C₄H₉Li (l) + (g) = (l) + Lithium bromide (cr)

By formula: C₄H₉Li (l) + HBr (g) = C₄H₁₀ (l) + BrLi (cr)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-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) + Lithium bromide (cr)

By formula: HBr (g) + CH₃Li (cr) = CH₄ (g) + BrLi (cr)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-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) + Lithium bromide (cr)

By formula: HBr (g) + C₂H₅Li (cr) = C₂H₆ (g) + BrLi (cr)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-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) + Lithium bromide (cr)

By formula: HBr (g) + C₄H₉Li (l) = C₄H₁₀ (l) + BrLi (cr)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-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 = + Lithium bromide

By formula: C₇H₇Br + C₄H₉Li = C₁₁H₁₆ + BrLi

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-80.8 ± 2.6	kcal/mol	Cm	Fowell and Mortimer, 1961	liquid phase; ALS

Gas phase ion energetics data

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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

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

Data collected through January, 1977

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 ⁷Li⁷⁹Br
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	r_e	Trans.
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
A 2	↳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

Absorption cross sections Davidovits and Brodhead, 1967.

Diffuse absorption bands at 31560, 31018, 30467, 29879, (29442) cm^-1

Vibrational constants from the infrared spectrum of the natural isotopic mixture.

Rotational constants evaluated Hebert, Breivogel, et al., 1964 from the microwave results for ⁶Li⁷⁹Br.

Rot.-vibr. Sp. 10

Dipole moment of ⁶Li⁷⁹Br: μ_el[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; g_J(⁷Li⁷⁹Br) = 0.11206 superseding an earlier value by the magnetic resonance method Mehran, Brooks, et al., 1966; also ^79,81Br nuclear magnetic moments.

Li nuclear reorientation spectrum Kusch, 1949, Logan, Cote, et al., 1952, Kusch, 1959.

Thermochemical value Brewer and Brackett, 1961, Bulewicz, Phillips, et al., 1961.

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.

For IR spectrum in inert gas matrices see Schlick and Schnepp, 1964.

References

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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 ⁷Li^79,81Br 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

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Symbols used in this document:

AE	Appearance energy
EA	Electron affinity
S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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