Structure Data of Free Polyatomic Molecules
212
IR
C2H2Cl2
(E)-1,2-Dichloroethene
r0
C–H
C=C
C–Cl
Å a)
1.079(4)
1.310(5)
1.741(3)
deg a)
C=C–H 124.6(5)
C=C–Cl 119.8(4)
rs
C–H
C=C
C–Cl
Å a)
1.078(4)
1.305(5)
1.740(3)
deg a)
C=C–H 125.3(5)
C=C–Cl 119.9(4)
Atom
C
H
Cl
a
as [Å]
±0.4708
±0.3119
±2.1411
θ0
C2h
H
Cl
Cl
H
θs
bs [Å]
±0.4515
±1.5179
∓0.0363
cs [Å]
0.0
0.0
0.0
) Costain values as uncertainties.
Craig, N.C., Appleman, R.A., Barnes, H.E., Morales, E., Smith, J.A., Klee, S., Lock, M.,
Mellau, G.C.: J. Phys. Chem. A 102 (1998) 6745.
II/25B(3, 586)
Landolt-Börnstein
New Series II/28B