Structure Data of Free Polyatomic Molecules
158
MW
CNe2OS
r0
Rcm
Ne...Ne
Ne...C
Carbonyl sulfide – neon (1/2)
(weakly bound complex)
Å a)
3.106(5)
3.303(5)
3.378(5)
θ0
Ne...C=O
ϕ b)
deg a)
78.8(5)
112.3(5)
Cs
(effective symmetry class)
(large-amplitude motion)
O=C=S · 2Ne
Force constants and wavenumbers for the intermolecular
vibrational modes are derived as follows: F55 = 0.6003 N m–1,
F66 = 0.832 N m–1, F77 = 0.584 × 10–20 N m, F88 = 0.1866 N m–1,
F99 = 0.4931 × 10–20 N m; ν5 = 30.4 cm–1, ν6 = 29.0 cm–1, ν7 = 22.0 cm–1, ν8 = 15.7 cm–1,
ν9 = 13.2 cm–1.
a
) Uncertainties were not estimated in the original paper.
) Angle between OCS and the plane made by the two Ne atoms and the center of mass of
OCS, see figure.
b
Xu, Y., Jäger, W.: Phys. Chem. Chem. Phys. 2 (2000) 3549.
Landolt-Börnstein
New Series II/28B