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

Listing of experimental geometry data for C2H3 (vinyl)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
7.90934 1.08303 0.94864
Rotational Constants from 1990Kan/End:197
Calculated rotational constants for C2H3 (vinyl).

Point Group Cs

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 1.316 1 2 1998Kuc
rCH 1.085 2 4 1998Kuc r0 values assumed
rCH 1.080 1 3 1998Kuc !assumed
aHCC 137.3 2 1 3 1998Kuc
aHCC 121.5 1 2 4 1998Kuc
picture of vinyl

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 3
C=C 1

Atom x (Å) y (Å) z (Å)
C1 0.0488 0.7245 0.0000
C2 0.0488 -0.5915 0.0000
H3 -0.6836 1.5182 0.0000
H4 -0.8763 -1.1584 0.0000
H5 0.9739 -1.1584 0.0000

Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5
C11.31601.08002.09792.0979
C21.31602.23321.08501.0850
H31.08002.23322.68353.1483
H42.09791.08502.68351.8502
H52.09791.08503.14831.8502

Calculated geometries for C2H3 (vinyl).


References
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squib reference DOI
1990Kan/End:197 Kanamori, H.; Endo, Y.; Hirota, E. "The vinyl radical investigated by infrared diode laser kindetic spectroscopy." Journal of Chemical Physics. 92, 197-205 (1990) 10.1063/1.458462
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998  

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