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

Listing of experimental data for MgH (magnesium monohydride)

Other names
Magnesium hydride;
INChI SMILES IUPAC name
InChI=1/Mg.H [MgH]
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 229.79 6.10 kJ mol-1 Gurvich
Hfg(0K) enthalpy of formation 230.34 6.10 kJ mol-1 Gurvich
Entropy (298.15K) entropy 193.20   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.68   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 29.59   J K-1 mol-1 Gurvich
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 1493 2007Iri:389      
Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
1492.776 29.84682 -0.30481 5.825523 0.1772981 739.1296 2007Iri:389

vibrational zero-point energy: 746.4 cm-1
Calculated vibrational frequencies for MgH (magnesium monohydride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  5.82552   2007Iri:389

Calculated rotational constants for MgH (magnesium monohydride).

Product of moments of inertia moments of inertia
2.893754amu Å2   4.805263E-40gm cm2

Geometric Data
picture of magnesium monohydride

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
rMgH 1.730   1 2 1979HUB/HER re

Cartesians
Atom x (Å) y (Å) z (Å)
Mg1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.7297

Atom - Atom Distances bond lengths
Distances in Å
  Mg1 H2
Mg1   1.7297
H2 1.7297  

Calculated geometries for MgH (magnesium monohydride).

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

Connectivity
Atom 1 Atom 2
Mg1 H2

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

Electron Affinity (eV)
Electron Affinity unc. reference
1.050 0.060 webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for MgH (magnesium monohydride).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for MgH (magnesium monohydride).

References
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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  
2007Iri:389 KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007 10.1063/1.2436891
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 (http://webbook.nist.gov/chemistry)  

Got a better number? Please email us at cccbdb@nist.gov


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