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magnesium oxide


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.

Quantity Value Units Method Reference Comment
Deltafgas13.90kcal/molReviewChase, 1998Data last reviewed in December, 1974
Quantity Value Units Method Reference Comment
gas,1 bar50.973cal/mol*KReviewChase, 1998Data last reviewed in December, 1974

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) 5000. - 6000.
A 7.933868
B 0.464751
C -0.049429
D 0.004986
E 8.094503
F 20.70512
G 66.20220
H 13.90000
ReferenceChase, 1998
Comment Data last reviewed in December, 1974

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.

Quantity Value Units Method Reference Comment
Deltafliquid-127.30kcal/molReviewChase, 1998Data last reviewed in December, 1974
Quantity Value Units Method Reference Comment
liquid,1 bar11.55cal/mol*KReviewChase, 1998Data last reviewed in December, 1974
Quantity Value Units Method Reference Comment
Deltafsolid-143.79 ± 0.072kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Deltafsolid-143.70kcal/molReviewChase, 1998Data last reviewed in December, 1974
Quantity Value Units Method Reference Comment
solid,1 bar6.441 ± 0.036cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
Quantity Value Units Method Reference Comment
solid6.417cal/mol*KReviewChase, 1998Data last reviewed in December, 1974

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) 3105. - 5000.
A 16.00000
B 0.000000
C 0.000000
D 0.000000
E 0.000000
F -138.8610
G 22.40610
H -127.2970
ReferenceChase, 1998
Comment Data last reviewed in December, 1974

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. - 3105.
A 11.29540
B 1.357941
C -0.208572
D 0.024928
E -0.251901
F -147.9760
G 18.27480
H -143.7000
ReferenceChase, 1998
Comment Data last reviewed in December, 1974

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:
LL - Sharon G. Lias and Joel F. Liebman

Quantity Value Units Method Reference Comment
Proton affinity (review)236.kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity229.3kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.76 ± 0.22END/DERDalleska and Armentrout, 1994LL
9.7DERLias, Bartmess, et al., 1988LL

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, NIST Free Links, 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

Symbols used in the table of constants
SymbolMeaning
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)
Diatomic constants for 24Mg16O
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
G 1Pi [40259.8]    [0.5224] 1   [2.27E-6]  [1.834] G rarrow A V 36365.4 Z
missing citation
           G rarrow X R 39868.6 Z
missing citation
F 1Pi (37922) [696] H   [0.5590] 2   [1.424E-6]  [1.7728] F rarrow X R 37879.1 Z
missing citation
E 1Sigma+ (37722) [705] 3 H   [0.5249] 1   [1.14E-6]  [1.829] E rarrow A V 34180 HQ
missing citation
           E rarrow X R 37683.5 Z
missing citation; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
C 1Sigma- 30080.6 632.4 Z 5.2  0.5008 0.0048  [1.27E-6] 4  1.8729 C rarrow A 5 R 26500.94 Z
missing citation; Trajmar and Ewing, 1965
e 3Sigma- 6          (e larrow a) 
Evans and Mackie, 1974
D 1Delta 29851.6 632.5 Z 5.3  0.5014 0.0048  [1.26E-6] 7  1.8718 D rarrow A 5 8 R 26272.04 Z
Trajmar and Ewing, 1965
d 3Deltai (29300) 9 (650)   (0.50)     (1.87) d lrarrow a (V) 26867 HQ
Brewer and Porter, 1954; Evans and Mackie, 1974; Schamps and Gandara, 1976
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
c 3Sigma+ (28300) 10          (c larrow a) 25900
Evans and Mackie, 1974
B 1Sigma+ 199984.0 824.08 Z 4.76 11  0.5822 12 0.0045  1.14E-6 0.025E-6 1.7371 B rarrow A 13 V 16500.29 Z
missing citation
           B lrarrow X 14 V 20003.57 Z
Lagerqvist, 1943; Lagerqvist and Uhler, 1949; missing citation
A 1Pi 3563.3 664.44 Z 3.91  0.5056 15 0.0046  1.18E-6  1.8640  
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
a 3Pii (2400) 16 (650)   (0.50)     (1.87)  
X 1Sigma+ 0 785.06 Z 5.18  0.5743 12 0.0050  1.22E-6 0.02E-6 1.7490 17 

Notes

1Several rotational perturbations.
2Small Lambda-type doubling; intensity perturbations.
3Data for Mg18O are given by Antic-Jovanovic, Pesic, et al., 1976.
4D1 = 1.30E-6; H0 = 0.48E-11.
5Franck-Condon factors Srivastava and Maheshwari, 1967, Gandara, Schamps, et al., 1970, Shadrin and Zhirnov, 1975.
6Very weakly bound or repulsive state; see Schamps and Lefebvre-Brion, 1972. Continuous absorption above 31250 cm-1 by shock-heated MgO in Ar/O2 mixtures.
7D1 = 1.29E-6.
8For 18O - 16O isotope shifts see Trajmar and Ewing, 1965.
9A ~ -25.
10The assignment of the bands to MgO is still uncertain. See also Schamps and Lefebvre-Brion, 1972.
11Vibrational isotope shifts for 24Mg18O and 26Mg16O Pesic, 1964.
12RKR potential functions Thakur and Singh, 1967.
13Franck-Condon factors Nicholls, 1962; oscillator strength Main, Carlson, et al., 1967, Main and Schadee, 1969.
14Observed in absorption in shock-heated Ar/O2 mixtures containing MgO Evans and Mackie, 1974. Franck-Condon factors Nicholls, 1962, Ortenberg, Glasko, et al., 1964, Prasad, 1965; oscillator strength Main, Carlson, et al., 1967, Main and Schadee, 1969; dependence of transition moment on r from measured intensities Dube, 1973.
15Small Lambda-type doubling.
16A ~ -50; Te is the theoretical value of Schamps and Lefebvre-Brion, 1972. An experimental value of 3200 ± 1000 is given by Evans and Mackie, 1974.
17Theoretical ground state properties Yoshimine, 1968; more recent calculations of ground and excited states Schamps and Lefebvre-Brion, 1972.
18The dissociation energy (to Mg 1S + O 3P) is quite uncertain. The value given is the thermochemical value of Drowart, Exsteen, et al., 1964 as corrected Schamps and Lefebvre-Brion, 1972 for the presence of the low-lying a 3Pi state. From flame photometry Cotton and Jenkins, 1969 obtain 4.16 eV assuming a 3Sigma ground state, while Veits and Gurvich, 1956 also from flame photometry but assuming a 1Sigma ground state obtain 4.34 eV.

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, NIST Free Links, 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 D1«DELTA»-A1«PI» and C1«SIGMA»-A1«PI» 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 3«DELTA»-3«PI» 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 E1«SIGMA»-X1«SIGMA» 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 D1«DELTA» --> A1«PI» 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 D1«DELTA» - A1«PI» et C1«SIGMA»- - A1«PI» 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 C2«SIGMA»-X2«SIGMA» and D1«DELTA»-A1«PI» 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(B1«SIGMA»+ - X1«SIGMA»+) and MgH(A2«PI» - X2«SIGMA»+) 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 B1«SIGMA»-X1«SIGMA» 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

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