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Listing of experimental geometry data for C3O2 (Carbon suboxide)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
  0.07321  
Rotational Constants from 1966Herzberg
Calculated rotational constants for C3O2 (Carbon suboxide).

Point Group C2v

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
rCO 1.146 2 4 2001ELL/DRE:73 from crystal structure
rCC 1.251 1 2 2001ELL/DRE:73 crystal structure
aCCO 179.2 1 2 4 2001ELL/DRE:73 crystal structure
aCCC 178.3 2 1 3 2001ELL/DRE:73 crystal structure
picture of Carbon suboxide

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C=O 2
C=C 2
Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.0308
C2 0.0000 1.2509 0.0123
C3 0.0000 -1.2509 0.0123
O4 0.0000 2.3964 -0.0207
O5 0.0000 -2.3964 -0.0207

Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5
C11.25101.25102.39692.3969
C21.25102.50171.14603.6474
C31.25102.50173.64741.1460
O42.39691.14603.64744.7928
O52.39693.64741.14604.7928

Calculated geometries for C3O2 (Carbon suboxide).
References
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squib reference DOI
1966Herzberg Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966  
2001ELL/DRE:73 A. Ellern, T Drews, K. Seppelt "The structure of carbon suboxide, C3O2, in the solid state" Z. Anorg. Allg. Chem. 2001, 627, 73-76 10.1002/1521-3749(200101)627:1<73::AID-ZAAC73>3.0.CO;2-A

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