return to home page

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

Listing of experimental geometry data for CF2O (Carbonic difluoride)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.39405 0.39204 0.19617
Rotational Constants from 1966Herzberg
Calculated rotational constants for CF2O (Carbonic difluoride).

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
rCF 1.312 2 3 1966Herzberg
rCO 1.174 1 2 1966Herzberg
aFCF 108 3 2 4 1966Herzberg
aOCF 126 1 2 3 1966Herzberg from symmetry
picture of Carbonic difluoride

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-F 2
C=O 1

Atom x (Å) y (Å) z (Å)
O1 0.0000 0.0000 1.3143
C2 0.0000 0.0000 0.1403
F3 0.0000 1.0614 -0.6309
F4 0.0000 -1.0614 -0.6309

Atom - Atom Distances (Å)
  O1 C2 F3 F4
O11.17402.21592.2159
C21.17401.31201.3120
F32.21591.31202.1229
F42.21591.31202.1229

Calculated geometries for CF2O (Carbonic difluoride).


References
By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.
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


Browse
PreviousNext