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Experimental data for MgO (magnesium oxide)

22 02 02 11 45
Other names
Akro-mag; Animag; Calcined brucite; Calcined magnesia; Calcined magnesite; Granmag; Magcal; Magchem 100; Maglite; Magnesia; Magnesia usta; Magnesium Oxide; Magnesium oxide (MgO); Magnezu tlenek; Magox; Magox 85; Magox 90; Magox 95; Magox 98; Magox op; Marmag; Oxymag; Periclase; Seawater magnesia;
INChI INChIKey SMILES IUPAC name
InChI=1S/Mg.O CPLXHLVBOLITMK-UHFFFAOYSA-N [Mg]=O Magnesium Oxide
State Conformation
1Σ+ 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 151.40 21.00 kJ mol-1 1989OPE/TEW9152 entropy and HH from Gurvich
Hfg(0K) enthalpy of formation 151.00 21.00 kJ mol-1 1989OPE/TEW9152 entropy and HH from Gurvich
Entropy (298.15K) entropy 213.32   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.91   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 32.17   J K-1 mol-1 JANAF
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 Σ 775 785 2007Iri:389      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
785.2183 5.1327 0.01649 0.5748414 0.0053223 391.4329 2007Iri:389

vibrational zero-point energy: 387.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for MgO (magnesium oxide).
More spectroscopic constants are available at the NIST Physics Laboratory website:
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/MgO.html
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.57484   2007Iri:389

Calculated rotational constants for MgO (magnesium oxide).
Product of moments of inertia moments of inertia
29.32571amu Å2   4.869724E-39gm cm2
Geometric Data
picture of magnesium oxide

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
rMgO 1.749   1 2 1979HUB/HER re

Cartesians
Atom x (Å) y (Å) z (Å)
Mg1 0.0000 0.0000 0.0000
O2 0.0000 0.0000 1.7490

Atom - Atom Distances bond lengths
Distances in Å
  Mg1 O2
Mg1   1.7490
O2 1.7490  

Calculated geometries for MgO (magnesium oxide). An error occurred on the server when processing the URL. Please contact the system administrator.

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