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Experimental data for Mg(OH)2 (Magnesium dihydroxide)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/Mg.2H2O/h;2*1H2/q+2;;/p-2 VTHJTEIRLNZDEV-UHFFFAOYSA-L O[Mg]O
State Conformation
1Ag C2H
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
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

Calculated vibrational frequencies for Mg(OH)2 (Magnesium dihydroxide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for Mg(OH)2 (Magnesium dihydroxide).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Magnesium dihydroxide

Point Group C2


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

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for Mg(OH)2 (Magnesium dihydroxide).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-O 2
O-Mg 2

Connectivity
Atom 1 Atom 2
Mg1 O2
Mg1 O3
O2 H4
O3 H5
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1Ag
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 1Ag C2h False           C2h 0 3
1 2 1A C2 True           C2 1 3
1 3 1Σg D∞h False           D∞h 0 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 Mg(OH)2 (Magnesium dihydroxide).
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 1Ag C2h False       C2h 0 3
1 2 1A C2 True       C2 1 3
1 3 1Σg D∞h False       D∞h 0 1

Calculated electric quadrupole moments for Mg(OH)2 (Magnesium dihydroxide).

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