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Experimental data for MgCl (magnesium monochloride)

22 02 02 11 45
Other names
Magnesium chloride;
INChI INChIKey SMILES IUPAC name
InChI=1S/ClH.Mg/h1H;/q;+1/p-1 FOSCDBCOYQJHPN-UHFFFAOYSA-M [Mg]Cl
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 -54.71 6.10 kJ mol-1 Gurvich
Hfg(0K) enthalpy of formation -54.48 6.10 kJ mol-1 Gurvich
Entropy (298.15K) entropy 233.42   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 9.36   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 34.84   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 Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 Σ   462 1979HUB/HER      

vibrational zero-point energy:   cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for MgCl (magnesium monochloride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.24502   1979HUB/HER

Calculated rotational constants for MgCl (magnesium monochloride).
Product of moments of inertia moments of inertia
68.80104amu Å2   1.142486E-38gm cm2
Geometric Data
picture of magnesium monochloride

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
rMgCl 2.199   1 2 1979HUB/HER re

Cartesians
Atom x (Å) y (Å) z (Å)
Mg1 0.0000 0.0000 0.0000
Cl2 0.0000 0.0000 2.1991

Atom - Atom Distances bond lengths
Distances in Å
  Mg1 Cl2
Mg1   2.1991
Cl2 2.1991  

Calculated geometries for MgCl (magnesium monochloride).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
Mg1 Cl2
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
7.490 0.100     webbook

Electron Affinity (eV)
Electron Affinity unc. reference
1.589 0.011 webbook
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 2Σ C∞v True           C∞v 1 1
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for MgCl (magnesium monochloride).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 2Σ C∞v True       C∞v 1 1

Calculated electric quadrupole moments for MgCl (magnesium monochloride).

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 10.1007/978-1-4757-0961-2
Gurvich Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989  
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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