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Listing of experimental geometry data for C2H3Br (vinyl bromide)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
1.81004 0.13885 0.12884
Rotational Constants from 1990Hay/Ike:299
Calculated rotational constants for C2H3Br (vinyl bromide).

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
rCBr 1.884 1 3 1990Hay/Ike:299
rCC 1.332 1 2 1990Hay/Ike:299
rCH 1.080 1 4 1990Hay/Ike:299
rCH 1.080 2 5 1990Hay/Ike:299 !assumed
rCH 1.088 2 6 1990Hay/Ike:299
picture of vinyl bromide

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-Br 1
H-C 3
Atom x (Å) y (Å) z (Å)
C1 1.1945 0.5299 0.0000
C2 2.2147 -0.3259 0.0000
Br3 -0.6032 -0.0343 0.0000
H4 1.3131 1.6029 0.0000
H5 3.2261 0.0530 0.0000
H6 2.0500 -1.4016 0.0000

Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6
C11.33161.88411.07962.08682.1124
C21.33162.83302.12911.08001.0882
Br31.88412.83302.52043.83032.9848
H41.07962.12912.52042.46213.0935
H52.08681.08003.83032.46211.8705
H62.11241.08822.98483.09351.8705

Calculated geometries for C2H3Br (vinyl bromide).
References
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squib reference DOI
1990Hay/Ike:299 M Hayashi, C Ikeda, T Inagusa "Microwave Spectrum, Structure, and Nuclear Quadrupole Coupling Constant Tensor of Vinyl Bromide and Iodide" J. Mol. Spect. 139, 299-312 (1990) 10.1016/0022-2852(90)90067-Z

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