return to home page

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

Listing of experimental geometry data for C2H2F2 (Ethene, 1,2-difluoro-, (Z)-)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.70393 0.19782 0.15418
Rotational Constants from 1961Lau:291
Calculated rotational constants for C2H2F2 (Ethene, 1,2-difluoro-, (Z)-).

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
rCC 1.324 1 2 1976Hellwege(II/7)
rCH 1.089 1 5 1976Hellwege(II/7)
rCF 1.335 1 3 1976Hellwege(II/7)
aCCF 122.1 1 2 4 1976Hellwege(II/7)
aHCC 124 1 2 6 1976Hellwege(II/7)
picture of Ethene, 1,2-difluoro-, (Z)-

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

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.6619 0.6428
C2 0.0000 -0.6619 0.6428
F3 0.0000 1.3714 -0.4880
F4 0.0000 -1.3714 -0.4880
H5 0.0000 1.2691 1.5465
H6 0.0000 -1.2691 -1.5465

Atom - Atom Distances (Å)
  C1 C2 F3 F4 H5 H6
C11.32381.33502.32661.08872.9192
C21.32382.32661.33502.13202.2719
F31.33502.32662.74282.03712.8448
F42.32661.33502.74283.33341.0634
H51.08872.13202.03713.33344.0011
H62.91922.27192.84481.06344.0011

Calculated geometries for C2H2F2 (Ethene, 1,2-difluoro-, (Z)-).


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
1961Lau:291 VW Laurie "Microwave Spectrum of cis-Difluoroethylene. Structures and Dipole Moment of Fluoroethylenes" J. Chem. Phys. 34, 291, 1961 10.1063/1.1731582
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.  

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


Browse
PreviousNext