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

Listing of experimental geometry data for Li2O (dilithium oxide)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
  0.46550 0.46550
Rotational Constants from 2001Bel/Bre:2871
Calculated rotational constants for Li2O (dilithium oxide).

Point Group D∞h

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
rLiO 1.606 1 2 2001Bel/Bre:2871
aOLiO 180 2 1 3
picture of dilithium oxide

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

Atom x (Å) y (Å) z (Å)
O1 0.0000 0.0000 0.0000
Li2 0.0000 0.0000 1.6060
Li3 0.0000 0.0000 -1.6060

Atom - Atom Distances (Å)
  O1 Li2 Li3
O11.60601.6060
Li21.60603.2120
Li31.60603.2120

Calculated geometries for Li2O (dilithium oxide).


References
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squib reference DOI
2001Bel/Bre:2871 D Bellert, WH Breckenridge, "A spectroscopic determination of the bond length of the LiOLi molecule: Strong ionic bonding" J. Chem. Phys. 114(7), 2871, 2001 10.1063/1.1349424

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