Listing of experimental geometry data for BO2 (Boron dioxide)
Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
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 |
|
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
| 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 |
| B1 | | 1.2650 | 1.2650 |
|---|
| O2 | 1.2650 | | 2.5300 |
|---|
| O3 | 1.2650 | 2.5300 | |
|---|
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 |
|
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