Structure Data of Free Polyatomic Molecules
294
C2H6AsF
ED, ab initio
calculations
Å a)
rg
As–C 1.955(1)
As–F 1.758(1)
r 0α
As–C
As–F
C–H
Å a)
1.951(1)
1.754(1)
1.061(3)
Fluorodimethylarsine
Dimethylarsinous fluoride
Cs
F
H 3C
θ 0α
C–As–F
C–As–C
As–C–H
τ b)
As
CH3
deg a)
95.3(5)
96.9(8)
106.7(7)
57(11)
The harmonic force constants were calculated at the MP2/6-31G** level of theory.
The nozzle was at about 293 K.
a
) Estimated standard errors.
) Torsional angle F–As–C(1)–H(1), τ = 0° for syn position; positive value for the
anticlockwise rotation.
b
Downs, A.J., Greene, T.M., McGrady, G.S., Townson, N., Brain, P.T., Pulham, C.R.,
Rankin, D.W.H., Robertson, H.E., Smart, B.A., Alberts, I.L.: Inorg. Chem. 35 (1996)
6952.
Landolt-Börnstein
New Series II/28B