Structure Data of Free Polyatomic Molecules
164
MW
CO3S2
r0
Rcm
Atom
C(1)
O(1)
S(1)
cm1 b)
S(2)
O(2)
O(2')
cm2 b)
Å
3.7471(4)
a0 [Å]
1.58725
0.84807
2.58794
1.92363
–2.11196
–1.49515
–1.49515
–1.80348
Carbonyl sulfide – sulfur dioxide (1/1)
Cs
(weakly bound complex)
(effective symmetry class)
(large-amplitude motion)
O=C=S · SO2
deg
θ0
θ a)
123.8(5)
ϕ a) 142.1(50)
b0 [Å]
0.60427
1.49319
–0.59912
0.19976
0.00523
–0.37970
–0.37970
–0.18729
c0 [Å]
0.0
0.0
0.0
0.0
0.0
1.29940
–1.29940
0.0
The dimer has Cs symmetry with the oxygen atoms of the SO2 straddling the OCS. The C2 axis
of SO2 is nearly parallel to the OCS molecule orienting the dipole moments of the monomers
approximately antiparallel.
a
) See figure for the definition.
) cm1 and cm2 denote the centers of mass for the OCS and SO2 molecules, respectively.
b
Peebles, S.A., Sun, L.H., Ioannou, I.I., Kuczkowski, R.L.: J. Mol. Struct. 485-486 (1999) 211.
Landolt-Börnstein
New Series II/28B