Structure Data of Free Polyatomic Molecules
266
IR
C 2 H 4 F2
r0
C–H
C–C
C–F
1,2-Difluoroethane
Å a)
1.092(1)
1.506(5)
1.400(4)
θ0
C–C–H
H–C–H
C–C–F
F–C–H
deg a)
111.6(3)
110.7(1)
107.3(2)
107.8(3)
rs
C–H
C–C
C–F c)
Å b)
1.095(2)
1.499(4)
1.403(6)
Atom
C
bs [Å]
cs [Å]
as [Å]
±0.5339 ∓0.5263 0.0
H
±0.4808 ∓1.1516 ±0.8968
c
F )
θs
C–C–H
H–C–H
C–C–F c)
F–C–H c)
±1.7718 ±0.1333
C2h (anti)
F
F
deg b)
111.5(2)
110.0(3)
107.4(5)
108.1(3)
0.0
a
) Estimated uncertainties.
) Costain uncertainties.
c
) The F coordinates were fitted, when the C and H atoms were constrained to substitution
coordinates.
b
Craig, N.C., Chen, A., Suh, K.H., Klee, S., Mellau, G.C., Winnewisser, B.P., Winnewisser,
M.: J. Phys. Chem. A 101 (1997) 9302.
See also: Craig, N.C., Chen, A., Suh, K.H., Klee, S., Mellau, G.C., Winnewisser, B.P.,
Winnewisser, M.: J. Am. Chem. Soc. 119 (1997) 4789.
II/25B(3, 746)
Landolt-Börnstein
New Series II/28B