magnesium oxide

• Formula: MgO
• Molecular weight: 40.3044
• IUPAC Standard InChI: InChI=1S/Mg.O Copy

  
• IUPAC Standard InChIKey: CPLXHLVBOLITMK-UHFFFAOYSA-N Copy
• CAS Registry Number: 1309-48-4
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Magnesium monoxide
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
  • Constants of diatomic molecules
  • References
  • Notes
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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Gas 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.

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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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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/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:
LL - Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

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 March, 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]

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]

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]

Dalleska and Armentrout, 1994
Dalleska, N.F.; Armentrout, P.B., Guided ion beam studies of reactions of alkaline earth ions with O₂, Int. J. Mass Spectrom. Ion Processes, 1994, 134, 203. [all data]

Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G., Gas-phase ion and neutral thermochemistry, J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [all data]

Trajmar and Ewing, 1965
Trajmar, S.; Ewing, G.E., The near-ultraviolet bands of MgO: analysis of the D¹Δ-A¹Π and C¹Σ-A¹Π systems, Astrophys. J., 1965, 142, 77. [all data]

Evans and Mackie, 1974
Evans, P.J.; Mackie, J.C., Energy levels of gaseous magnesium monoxide and the bond dissociation energy, Chem. Phys., 1974, 5, 277. [all data]

Brewer and Porter, 1954
Brewer, L.; Porter, R.F., A thermodynamic and spectroscopic study of gaseous magnesium oxide, J. Chem. Phys., 1954, 22, 1867. [all data]

Schamps and Gandara, 1976
Schamps, J.; Gandara, G., A ³Δ-³Π transition in the near-ultraviolet spectrum of MgO, J. Mol. Spectrosc., 1976, 62, 80. [all data]

Lagerqvist, 1943
Lagerqvist, A., The greeen bands of magnesium oxide, Ark. Mat. Astron. Fys., 1943, 29, 1. [all data]

Lagerqvist and Uhler, 1949
Lagerqvist, A.; Uhler, U., The red and green bands of magnesium oxide, Ark. Fys., 1949, 1, 459. [all data]

Antic-Jovanovic, Pesic, et al., 1976
Antic-Jovanovic, A.; Pesic, D.S.; Bojovic, V., On the MgO bands of the E¹Σ-X¹Σ system, J. Mol. Spectrosc., 1976, 60, 416. [all data]

Srivastava and Maheshwari, 1967
Srivastava, Y.P.; Maheshwari, R.C., Overlap integrals and r centroids of D¹Δ → A¹Π system of MgO, Proc. Phys. Soc. London, 1967, 90, 1177. [all data]

Gandara, Schamps, et al., 1970
Gandara, G.; Schamps, J.; Becart, M., Facteurs de Franck et Condon et r-centroides pour les systemes D¹Δ - A¹Π et C¹Σ^- - A¹Π de la molecule MgO, C.R. Acad. Sci. Paris, Ser. B, 1970, 270, 1213. [all data]

Shadrin and Zhirnov, 1975
Shadrin, O.P.; Zhirnov, N.I., Calculations of Franck-Condon factors with Poschl-Teller wave functions. 2: Vibrational transition probabilities in the C²Σ-X²Σ and D¹Δ-A¹Π band systems of the RhC and MgO molecules, Opt. Spectrosc. Engl. Transl., 1975, 38, 367-368, In original 648. [all data]

Schamps and Lefebvre-Brion, 1972
Schamps, J.; Lefebvre-Brion, H., SCF calculations of the electronic states of magnesium monoxide, J. Chem. Phys., 1972, 56, 573. [all data]

Pesic, 1964
Pesic, D.S., Green bands of ²⁴Mg¹⁸O and ²⁶Mg¹⁶O molecules, Proc. Phys. Soc. London, 1964, 83, 885. [all data]

Thakur and Singh, 1967
Thakur, S.N.; Singh, R.B., Potential curves and bond strength of CP, BeO and MgO, J. Sci. Res. Banaras Hindu Univ., 1967, 18, 1, 253-264. [all data]

Nicholls, 1962
Nicholls, R.W., Franck-Condon factors to high vibrational quantum numbers II: SiO, MgO, SrO, AlO, VO, NO, J. Res. Nat. Bur. Stand. Sect. A, 1962, 66, 227. [all data]

Main, Carlson, et al., 1967
Main, R.P.; Carlson, D.J.; DuPuis, R.A., Measurement of oscillator strengths of the MgO(B¹Σ⁺ - X¹Σ⁺) and MgH(A²Π - X²Σ⁺) band systems, J. Quant. Spectrosc. Radiat. Transfer, 1967, 7, 805. [all data]

Main and Schadee, 1969
Main, R.P.; Schadee, A., On the oscillator strengths of MgO and F₂, J. Quant. Spectrosc. Radiat. Transfer, 1969, 9, 713. [all data]

Ortenberg, Glasko, et al., 1964
Ortenberg, F.S.; Glasko, V.B.; Dmitriev, A.I., Vibrational transition probabilities for band systems of some diatomic oxides. II., Sov. Astron. Engl. Transl., 1964, 8, 258, In original 332. [all data]

Prasad, 1965
Prasad, K., Franck-Condon factors and r centroids for B-X system of MgO, Proc. Phys. Soc. London, 1965, 85, 810. [all data]

Dube, 1973
Dube, P.S., Variation of the electronic transition moment with the internuclear distance & the effective vibrational temperature in the B¹Σ-X¹Σ system of the emission spectrum of MgO, Indian J. Pure Appl. Phys., 1973, 2, 445. [all data]

Yoshimine, 1968
Yoshimine, Y., Computed ground state properties of BeO, MgO, CaO, and SrO in molecular orbital approximation, J. Phys. Soc. Jpn., 1968, 25, 1100. [all data]

Drowart, Exsteen, et al., 1964
Drowart, J.; Exsteen, G.; Verhaegen, G., Mass spectrometric determination of the dissociation energy of the molecules MgO, CaO, SrO and Sr₂O, J. Chem. Soc. Faraday Trans., 1964, 60, 1920. [all data]

Cotton and Jenkins, 1969
Cotton, D.H.; Jenkins, D.R., Bond-dissociation energy of gaseous magnesium oxide, Trans. Faraday Soc., 1969, 65, 376. [all data]

Veits and Gurvich, 1956
Veits, I.V.; Gurvich, L.V., Dissociation energy of magnesium, calcium, strontium and barium oxides, Opt. Spektrosk., 1956, 1, 22. [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:
  

  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
  S°solid,1 bar	Entropy of solid at standard conditions (1 bar)
  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

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