lithium hydride

• Formula: HLi
• Molecular weight: 7.949
• IUPAC Standard InChI: InChI=1S/Li.H Copy

  
• IUPAC Standard InChIKey: SIAPCJWMELPYOE-UHFFFAOYSA-N Copy
• CAS Registry Number: 7580-67-8
• 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.
• Isotopologues:
  • lithium (2H)hydride
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
  • Constants of diatomic molecules
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Gas Phase Kinetics Database
• Options:
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Gas phase thermochemistry data

Go To: Top, Condensed phase 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.

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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Condensed phase 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.

Liquid 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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Solid 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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Electron affinity determinations

Ionization energy determinations

De-protonation reactions

Li^- +  =

By formula: Li^- + H⁺ = HLi

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Condensed phase 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

Notes

References

Go To: Top, Gas phase thermochemistry data, Condensed phase 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]

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]

Sarkas, Hendricks, et al., 1994
Sarkas, H.W.; Hendricks, J.H.; Arnold, S.T.; Bowen, K.H., Photoelectron Spectroscopy of Lithium Hydride Anion, J. Chem. Phys., 1994, 100, 3, 1884, https://doi.org/10.1063/1.466540 . [all data]

Haeffler, Hanstorp, et al., 1996
Haeffler, G.; Hanstorp, G.; Kiyan, I.; Klinkm|ller, A.E.; Ljungblad, U.; Pegg, D.J., Electron affinity of Li: A state-selective measurement, Phys. Rev. A, 1996, 53, 6, 4127-4131, https://doi.org/10.1103/PhysRevA.53.4127 . [all data]

Docken and Hinze, 1972
Docken, K.K.; Hinze, J., LiH potential curves and wavefunctions for X¹Σ⁺, A¹Σ⁺, B¹Π, ³Σ⁺, and ³Π, J. Chem. Phys., 1972, 57, 4928. [all data]

Stewart, Watson, et al., 1975
Stewart, R.F.; Watson, D.K.; Dalgarno, A., Variational time-dependent Hartree-Fock calculations. I. Applications to four-electron atomic and molecular systems, J. Chem. Phys., 1975, 63, 3222. [all data]

Meyer and Rosmus, 1975
Meyer, W.; Rosmus, P., PNO-Cl and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides, J. Chem. Phys., 1975, 63, 2356. [all data]

Yardley and Balint-Kurti, 1976
Yardley, R.N.; Balint-Kurti, G.G., Ab initio valence-bond calculations on HF, LiH, LiH⁺ and LiF, Mol. Phys., 1976, 31, 921. [all data]

Crawford and Jorgensen, 1935
Crawford, F.H.; Jorgensen, T., Jr., The band spectra of the hydrides of lithium, Phys. Rev., 1935, 47, 932. [all data]

Klemperer, 1955
Klemperer, W., Infrared spectrum of LiH, J. Chem. Phys., 1955, 23, 2452. [all data]

Norris and Klemperer, 1958
Norris, W.G.; Klemperer, W., Dipole derivative of lithium hydride, J. Chem. Phys., 1958, 28, 749. [all data]

James, Norris, et al., 1960
James, T.C.; Norris, W.G.; Klemperer, W., Infrared spectrum and dipole moment function of lithium hydride, J. Chem. Phys., 1960, 32, 728. [all data]

Wharton, Gold, et al., 1960
Wharton, L.; Gold, L.P.; Klemperer, W., Dipole moment of lithium hydride, J. Chem. Phys., 1960, 33, 1255. [all data]

Rothstein, 1969
Rothstein, E., Molecular constants of lithium hydrides by the molecular-beam electric resonance method, J. Chem. Phys., 1969, 50, 1899. [all data]

Freeman, Jacobson, et al., 1975
Freeman, R.R.; Jacobson, A.R.; Johnson, D.W.; Ramsey, N.F., The molecular Zeeman and hyperfine spectra of LiH and LiD by molecular beam high resolution electric resonance, J. Chem. Phys., 1975, 63, 2597. [all data]

Lawrence, Anderson, et al., 1963
Lawrence, T.R.; Anderson, C.H.; Ramsey, N.F., Rotational magnetic moments of lithium hydride and deuteride, Phys. Rev., 1963, 130, 1865. [all data]

Way and Stwalley, 1973
Way, K.R.; Stwalley, W.C., Accurate dissociation energies from rotational predissociation and long-range forces: B¹Π LiH, J. Chem. Phys., 1973, 59, 5298. [all data]

Fallon, Vanderslice, et al., 1960
Fallon, R.J.; Vanderslice, J.T.; Mason, E.A., Erratum: Potential curves for HF and LiH, J. Chem. Phys., 1960, 33, 944. [all data]

Singh and Jain, 1962
Singh, N.L.; Jain, D.C., The Rydberg-Klein-Rees method of constructing the true potential energy curves of diatomic molecules, Proc. Phys. Soc. London, 1962, 79, 274. [all data]

Dagdigian, 1976
Dagdigian, P.J., Detection of LiH and NaH molecular beams by laser fluorescence and measurement of radiative lifetimes of the A¹Σ⁺ state, J. Chem. Phys., 1976, 64, 2609. [all data]

Wine and Melton, 1976
Wine, P.H.; Melton, L.A., Radiative lifetime of LiH A¹Σ⁺, J. Chem. Phys., 1976, 64, 2692. [all data]

Fernandez-Florez and Velasco, 1969
Fernandez-Florez, I.; Velasco, R., Contribucion al estudio de la molecula LiH: distribucion de intensidades en el sistema A-X, Opt. Pura Apl., 1969, 2, 123. [all data]

Halmann and Laulicht, 1967
Halmann, M.; Laulicht, I., Isotope effects on Franck-Condon factors. VII. Vibrational intensity distribution in the H₂ Lyman, H₂ Werner, O₂ Schumann-Runge, N₂ first positive, N₂ Vegard-Kaplan, and LiH (A-X) systems based on PKR potentials, J. Chem. Phys., 1967, 46, 2684. [all data]

Velasco and Rivero, 1974
Velasco, R.; Rivero, F., Espectro de absorcion de la molecula ⁶LiH, Opt. Pura Apl., 1974, 7, 45. [all data]

Docken and Freeman, 1974
Docken, K.K.; Freeman, R.R., Some molecular properties of LiH and LiD, J. Chem. Phys., 1974, 61, 4217. [all data]

Notes

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

• Symbols used in this document:
  

  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
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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