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II.A.3. (XII.A.1.)

Listing of experimental geometry data for MgOH (magnesium hydroxide)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
  0.50158  
Rotational Constants from 1999App/And:10919
Calculated rotational constants for MgOH (magnesium hydroxide).

Point Group C∞v

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rMgO 1.767 1 2 1999App/And:10919 re structure
rOH 0.940 1 3 1992Bar/And:225 re
aHOMg 180 2 1 3 1999App/And:10919 quasilinear
picture of magnesium hydroxide

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

Atom x (Å) y (Å) z (Å)
O1 0.0000 0.0000 0.0000
Mg2 0.0000 0.0000 1.7670
H3 0.0000 0.0000 -0.9400

Atom - Atom Distances (Å)
  O1 Mg2 H3
O11.76700.9400
Mg21.76702.7070
H30.94002.7070

Calculated geometries for MgOH (magnesium hydroxide).


References
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squib reference DOI
1992Bar/And:225 Barclay, W.L.; Anderson, M.A.; Ziurys, L.M. "The millimeter-wave spectrum of the MgOH radical." Chemical Physics Letters. 196, 225-232 (1992) 10.1016/0009-2614(92)85959-E
1999App/And:10919 AJ Apponi, MA Anderson, LM Ziurys "High resolution spectroscopy of MgOH (X 2Sigma+) in its v2 mode: Further evidence for quasilinearity" J. Chem. Phys. 111, 10919, 1999 10.1063/1.480455

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