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

Listing of experimental geometry data for BO2 (Boron dioxide)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
  0.32920  
Rotational Constants from 1966Herzberg
Calculated rotational constants for BO2 (Boron dioxide).

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
rBO 1.265 1 2 1966Herzberg
aOBO 180 2 1 3 1966Herzberg
picture of Boron dioxide

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

Atom x (Å) y (Å) z (Å)
B1 0.0000 0.0000 0.0000
O2 0.0000 0.0000 1.2650
O3 0.0000 0.0000 -1.2650

Atom - Atom Distances (Å)
  B1 O2 O3
B11.26501.2650
O21.26502.5300
O31.26502.5300

Calculated geometries for BO2 (Boron dioxide).


References
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squib reference DOI
1966Herzberg Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966  

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


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