lithium chloride

Formula: ClLi
Molecular weight: 42.394
IUPAC Standard InChI: InChI=1S/ClH.Li/h1H;/q;+1/p-1
IUPAC Standard InChIKey: KWGKDLIKAYFUFQ-UHFFFAOYSA-M
CAS Registry Number: 7447-41-8
Chemical structure:
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Reaction thermochemistry data

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Data compiled by: José A. Martinho Simões

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Individual Reactions

C₂H₅LiO (cr) + ( • 552) (solution) = (l) + lithium chloride (cr)

By formula: C₂H₅LiO (cr) + (HCl • 552H₂O) (solution) = C₂H₆O (l) + ClLi (cr)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-42.4 ± 3.9	kJ/mol	RSC	Leal and Martinho Simões, 1993

Constants of diatomic molecules

Go To: Top, Reaction thermochemistry data, References, Notes

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 ⁷Li³⁵Cl
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 3pπ ²Π	513500	1090 1									K ← X	513700
K 3pπ ²Π	↳Radler, Sonntag, et al., 1976
J 3σ ²Σ	505900	1030 1									J ← X	506100
J 3σ ²Σ	↳Radler, Sonntag, et al., 1976
I 2pπ ²Π	479200	850 1									I ← X	479300
I 2pπ ²Π	↳Radler, Sonntag, et al., 1976
H 2σ ²Σ	463900	950 1									H ← X	464000
H 2σ ²Σ	↳Radler, Sonntag, et al., 1976
The energy loss spectrum of 25 keV electron has peaks at 5.3, 7.2, and 8.9 eV.
↳Geiger and Pfeiffer, 1968
Continuous absorption above 40000 cm^-1, first maximum 2 at 42800 cm^-1. 3
↳Muller, 1927; Davidovits and Brodhead, 1967
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
A 4											A ← X
A 4	↳Berry and Klemperer, 1957
X ¹Σ⁺	0	643.31 5	4.50₁ 5		0.7065222₄	0.0080096₁	0.00003966	3.4087E-6	-0.0190E-6	2.020673 6 7
	↳Klemperer and Rice, 1957; Klemperer, Norris, et al., 1960
	Rotation sp.
	↳Lide, Cahill, et al., 1964; Pearson and Gordy, 1969
	Mol. beam rf electric reson. $I
	↳Marple and Trischka, 1956; Hebert, Lovas, et al., 1968; Gallagher, Hilborn, et al., 1972; Freeman, Johnson, et al., 1974
	Mol. beam magn. reson. 8
	↳Mehran, Brooks, et al., 1966

Notes

First members of two Rydberg series converging to the Li is ionization limit of LiCl at ~66eV (532300 cm^-1); vibrational numbering not established.

Also observed in the electron energy loss spectrum.

Absorption cross sections Davidovits and Brodhead, 1967.

Diffuse absorption bands at 35642, 35032, 34482 cm^-1.

Calculated Pearson and Gordy, 1969 from the rotational constants by use of Dunham's theory. From the infrared spectrum of the isotopic mixture Klemperer, Norris, et al., 1960 obtain w_e = 641.₁, w_ex_e = 4.2. For ⁶Li³⁵Cl Moran and Trischka, 1961 find w_e ~ 705 by the molecular beam electric resonance method.

From the effective B_e. Using the data of Pearson and Gordy, 1969 for the four LiCl isotopes Watson, 1973 has determined r_e at the minimum of the Born-Oppenheimer potential as 2.020700 .

Rot.-vibr. Sp. 10

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

Thermochemical value Brewer and Brackett, 1961, Bulewicz, Phillips, et al., 1961, Hildenbrand, Hall, et al., 1964. A slightly higher value was suggested by Gurvich and Veits, 1958.

IR spectrum of matrix isolated LiCL Snelson and Pitzer, 1963,136.

Electric dipole moment of ⁶Li³⁵Cl: μ_el[D] = 7.085₃ + 0.0868(v+1/2) + 0.0005₆(v+1/2)² Hebert, Lovas, et al., 1968, see also Marple and Trischka, 1956,134. For electric quadrupole and other hyperfine coupling constants see Marple and Trischka, 1956, Gallagher, Hilborn, et al., 1972. The Zeeman spectrum was also studied by the molecular beam electric resonance method Freeman, Johnson, et al., 1974; g_J(⁷Li³⁵Cl) = +0.10042 and +0.10064 μ_N for v=0 and 1, respectively, superseding an earlier value by the magnetic resonance method Mehran, Brooks, et al., 1966.

From D₀⁰(LiCl) and the electron affinities of LiCl and Cl.

From the photoelectron spectrum of LiCl^- Carlstein, Peterson, et al., 1976; I.P. is reasonably close to the calculated electron affinity of LiCl [0.54 eV Jordan and Luken, 1976]; see also Jordan, 1976.

The relative intensities of the photoelectron peaks have been compared Carlstein, Peterson, et al., 1976 with calculated Franck-Condon factors.

References

Go To: Top, Reaction thermochemistry data, Constants of diatomic molecules, Notes

Leal and Martinho Simões, 1993
Leal, J.P.; Martinho Simões, J.A., J. Organometal. Chem., 1993, 460, 131. [all data]

Radler, Sonntag, et al., 1976
Radler, K.; Sonntag, B.; Chang, T.C.; Schwarz, W.H.E., Experimental and theoretical investigation of the Li 1s spectra of molecular lithium halides, Chem. Phys., 1976, 13, 363. [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]

Muller, 1927
Muller, L.A., 4. absorptionsspektren der alkalihalogenide in wasseriger losung und im dampf, Ann. Phys. (Leipzig), 1927, 82, 39. [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]

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]

Lide, Cahill, et al., 1964
Lide, D.R., Jr.; Cahill, P.; Gold, L.P., Microwave spectrum of lithium chloride, J. Chem. Phys., 1964, 40, 156. [all data]

Pearson and Gordy, 1969
Pearson, E.F.; Gordy, W., Millimeter- and submillimeter-wave spectra and molecular constants of LiF and LiCl, Phys. Rev., 1969, 177, 52. [all data]

Marple and Trischka, 1956
Marple, D.T.F.; Trischka, J.W., Radio-frequency spectra of Li⁶Cl by the molecular beam electric resonance method, Phys. Rev., 1956, 103, 597. [all data]

Hebert, Lovas, et al., 1968
Hebert, A.J.; Lovas, F.J.; Melendres, C.A.; Hollowell, C.D.; Story, T.L., Jr.; Street, K., Jr., Dipole moments of some alkali halide molecules by the molecular beam electric resonance method, J. Chem. Phys., 1968, 48, 2824. [all data]

Gallagher, Hilborn, et al., 1972
Gallagher, T.F., Jr.; Hilborn, R.C.; Ramsey, N.F., Hyperfine spectra of ⁷Li³⁵Cl and ⁷Li³⁷Cl, J. Chem. Phys., 1972, 56, 5972. [all data]

Freeman, Johnson, et al., 1974
Freeman, R.R.; Johnson, D.W.; Ramsey, N.F., Molecular beam electric resonance study of the molecular Zeeman spectrum of lithium chloride, J. Chem. Phys., 1974, 61, 3471. [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]

Moran and Trischka, 1961
Moran, T.I.; Trischka, J.W., New determinations of the vibrational constants of Li-Li⁶F and Li⁶Cl³⁵ by the molecular beam electric resonance method, J. Chem. Phys., 1961, 34, 923. [all data]

Watson, 1973
Watson, J.K.G., The isotope dependence of the equilibrium rotational constants in ¹Σ states of diatomic molecules, J. Mol. Spectrosc., 1973, 45, 99. [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]

Hildenbrand, Hall, et al., 1964
Hildenbrand, D.L.; Hall, W.F.; Ju, F.; Potter, N.D., Vapor pressures and vapor thermodynamic properties of some lithium and magnesium halides, J. Chem. Phys., 1964, 40, 2882. [all data]

Gurvich and Veits, 1958
Gurvich, L.V.; Veits, I.V., Determination of molecular dissociation energies from flame reaction equilibrium studies, Bull. Acad. Sci. USSR, Phys. Ser. Engl. Transl., 1958, 22, 670-673. [all data]

Snelson and Pitzer, 1963
Snelson, A.; Pitzer, K.S., Infrared spectra by matrix isolation of lithium fluoride, lithium chloride and sodium fluoride, J. Phys. Chem., 1963, 67, 882. [all data]

Carlstein, Peterson, et al., 1976
Carlstein, J.L.; Peterson, J.R.; Lineberger, W.C., Binding of an electron by the field of a molecular dipole - LiCl-, Chem. Phys. Lett., 1976, 37, 5. [all data]

Jordan and Luken, 1976
Jordan, K.D.; Luken, W., Theoretical study of the binding of an electron to a molecular dipole: LiCl^-, J. Chem. Phys., 1976, 64, 2760. [all data]

Jordan, 1976
Jordan, K.D., Correlation between molecular electron affinities and dipole moments, J. Chem. Phys., 1976, 65, 1214. [all data]

Notes

Go To: Top, Reaction thermochemistry data, Constants of diatomic molecules, References

Symbols used in this document:

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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