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Magnesium monofluoride


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
Deltafgas-236.81kJ/molReviewChase, 1998Data last reviewed in June, 1976
Quantity Value Units Method Reference Comment
gas,1 bar221.05J/mol*KReviewChase, 1998Data last reviewed in June, 1976

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

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View table.

Temperature (K) 298. - 6000.
A 36.09838
B 1.689868
C -0.385628
D 0.041001
E -0.370169
F -248.8894
G 262.1657
H -236.8144
ReferenceChase, 1998
Comment Data last reviewed in June, 1976

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 compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to FMg+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
7.5 ± 0.5EIHildenbrand, 1968RDSH
~7.68SBarrow and Beale, 1967RDSH
8.0 ± 0.5EIMurad, Hildenbrand, et al., 1966RDSH
7.8 ± 0.3EIEhlert, Blue, et al., 1964RDSH

Constants of diatomic molecules

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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 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 24Mg19F
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
(V shaded emission bands in the region 1800 - 1900 Å, attributed to MgF+ by Novikov and Gurvich, 1971, are due to the B rarrow X transition of AlF.)
G (2Sigma) 74304.2 800.0 H 6.18 1        (G lrarrow X) (V) 74343
Novikov and Gurvich, 1971
F (2Sigma) 57067.2 756.6 H 4.06 1        (F lrarrow X) (V) 57085
Novikov and Gurvich, 1971
E (2Pi) 55694.9 775.9 H 4.00 1        (E lrarrow X) (V) 55722
Novikov and Gurvich, 1971
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
D (2Pi) 54263.6 792.3 H 4.38 1        (D lrarrow X) (V) 54299
Novikov and Gurvich, 1971
C 2Sigma+ 42538.9 [813.10] Z (5.04)  0.55102 0.00449  [0.00991E-4] 2  1.6988 C larrow X 3 V 42589.64 Z
missing citation; Barrow and Beale, 1967
B 2Sigma+ 37167.3 [750.94] Z (5.60)  0.53844 0.00510  [0.01083E-4] 4  1.7185 B lrarrow X 5 V 37187.45 Z
Jevons, 1929; missing citation; missing citation; Barrow and Beale, 1967
A 2Pir 27851.2 6 746.0 H 3.97       1.7469 A lrarrow X 7 V 27863.7 Z
missing citation; missing citation; Barrow and Beale, 1967
27816.1 [740.12] Z   0.52105 8 0.00327  [0.0038E-4] H   A lrarrow X 7 V 27829.60 Z
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X 2Sigma+ 0 [711.69] Z (4.94)  0.51922 0.00470  [0.01080E-4] 9  1.7500 10  
Knight, Easley, et al., 1971

Notes

1Four 0-0 sequences; no details.
2D1 = 0.00984E-4
3Franck-Condon factors Maheshwari, Singh, et al., 1968, Rao and Lakshman, 1970.
4D1 = 0.01085E-4.
5Franck-Condon factors Maheshwari, Singh, et al., 1968, Rao and Lakshman, 1970, 2.
6A = +37 Barrow and Beale, 1967, Walker and Richards, 1970. The regular character of this state is suggested by the theoretical calculations of Walker and Richards, 1968, Walker and Richards, 1970 and supported by the analysis of the ESR spectra Knight, Easley, et al., 1971.
7Morse potential Franck-Condon factors Singh, Shukla, et al., 1969.
8For Lambda-type doubling constants see Barrow and Beale, 1967 and Walker and Richards, 1970.
9D1 = 0.01075E-4.
10ESR sp. 13
11Thermochemical value (mass-spectrometry) Hildenbrand, 1968; similar results can be obtained from Ehlert, Blue, et al., 1964 and Murad, Hildenbrand, et al., 1966 with the use of appropriately revised auxiliary data.
12D1 = 0.0078E-4.
13In Ne and Ar matrices at 4K.

References

Go To: Top, Gas 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]

Hildenbrand, 1968
Hildenbrand, D.L., Mass-spectrometric studies of bonding in the group IIA fluorides, J. Chem. Phys., 1968, 48, 3657. [all data]

Barrow and Beale, 1967
Barrow, R.F.; Beale, J.R., Rotational analysis of electronic bands of gaseous MgF, Proc. Phys. Soc. (London), 1967, 91, 483. [all data]

Murad, Hildenbrand, et al., 1966
Murad, E.; Hildenbrand, D.L.; Main, R.P., Dissociation energies of group IIIA monofluorides-the possibility of potential maxima in their excited H states,, J. Chem. Phys., 1966, 45, 263. [all data]

Ehlert, Blue, et al., 1964
Ehlert, T.C.; Blue, G.D.; Green, J.W.; Margrave, J.L., Mass spectrometric studies at high temperatures. IV. Dissociation energies of the alkaline earth monofluorides, J. Chem. Phys., 1964, 41, 2250. [all data]

Novikov and Gurvich, 1971
Novikov, M.M.; Gurvich, L.V., The electronic spectra of MgF and MgF+, J. Appl. Spectrosc. Engl. Transl., 1971, 14, 820, In original 1113. [all data]

Jevons, 1929
Jevons, W., Observations in connection with the band systems of the fluorides of beryllium and magnesium, Proc. R. Soc. London A, 1929, 122, 211. [all data]

Knight, Easley, et al., 1971
Knight, L.B., Jr.; Easley, W.C.; Weltner, W., Jr., Hyperfine interaction and chemical bonding in MgF, CaF, SrF, and BaF molecules, J. Chem. Phys., 1971, 54, 322. [all data]

Maheshwari, Singh, et al., 1968
Maheshwari, R.C.; Singh, I.D.; Shukla, M.M., Franck-Condon factors and r centroids for the B-X and C-X systems of the MgF molecule, J. Phys. B:, 1968, 1, 993. [all data]

Rao and Lakshman, 1970
Rao, T.V.R.; Lakshman, S.V.J., r-Centroids and Franck-Condon factors for the bands of the C2«SIGMA»+-X2«SIGMA»+ system of MgF, J. Quant. Spectrosc. Radiat. Transfer, 1970, 10, 945. [all data]

Rao and Lakshman, 1970, 2
Rao, T.V.R.; Lakshman, S.V.J., The true potential energy curves, «gamma»-centroids and Franck-Condon factors of the bands of the B2«SIGMA»+-X2«SIGMA»+ system of MgF, Physica (Amsterdam), 1970, 46, 609. [all data]

Walker and Richards, 1970
Walker, T.E.H.; Richards, W.G., The assignment of molecular orbital configurations on the basis of «lambda»-type doubling, J. Phys., 1970, 3, 271. [all data]

Walker and Richards, 1968
Walker, T.E.H.; Richards, W.G., The nature of the first excited electronic state in MgF, J. Phys. B:, 1968, 1, 1061. [all data]

Singh, Shukla, et al., 1969
Singh, I.D.; Shukla, M.M.; Maheshwari, R.C., Vibrational transition probabilities and r-centroids for the A-X system of the magnesium fluoride molecule, J. Quant. Spectrosc. Radiat. Transfer, 1969, 9, 533. [all data]


Notes

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