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II.A.1. (XV.A.)

Listing of experimental data for MgF (Magnesium monofluoride)

Other names
Magnesium fluoride;
InChI=1/FH.Mg/h1H;/q;+1/p-1 [Mg]F
State Conformation
2Σ C*V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation -232.27 10.00 kJ mol-1 Gurvich from average of D0 values ranging from 445 to 470
Hfg(0K) enthalpy of formation -231.82 10.00 kJ mol-1 Gurvich from average of D0 values ranging from 445 to 470
Entropy (298.15K) entropy 221.09   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.97   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 32.58   J K-1 mol-1 Gurvich from average of D0 values ranging from 445 to 470
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 Σ 712 1979HUB/HER      

vibrational zero-point energy: 355.8 cm-1
Calculated vibrational frequencies for MgF (Magnesium monofluoride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.51922   1979HUB/HER

Calculated rotational constants for MgF (Magnesium monofluoride).

Product of moments of inertia moments of inertia
32.46722amu Å2   5.391394E-39gm cm2

Geometric Data
picture of Magnesium monofluoride

Point Group C∞v

Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rMgF 1.750   1 2 1979HUB/HER re

Atom x (Å) y (Å) z (Å)
Mg1 0.0000 0.0000 0.0000
F2 0.0000 0.0000 1.7500

Atom - Atom Distances bond lengths
Distances in Å
  Mg1 F2
Mg1   1.7500
F2 1.7500  

Calculated geometries for MgF (Magnesium monofluoride).

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
F-Mg 1

Atom 1 Atom 2
Mg1 F2

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2 1979HUB/HER 2Σ

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
7.500 0.500     webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for MgF (Magnesium monofluoride).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for MgF (Magnesium monofluoride).

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squib reference DOI
1979HUB/HER Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979  
Gurvich Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989 10.1351/pac198961061027
webbook NIST Chemistry Webbook (  

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