Structure Data of Free Polyatomic Molecules
103
IR
CH2OS
Isotopic species
OCS ⋅ paraH2
OCS ⋅ orthoH2
OCS ⋅ orthoD2
OCS ⋅ paraD2
OCS ⋅ HD
Carbonyl sulfide – dihydrogen (1/1)
(weakly bound complex)
State
υ=0, jH=0
υ=0, jH=1
υ=0, jH=0
υ=0, jH=1
υ=0, jH=0
r0(Rcm) [Å] a)
3.719(5)
3.819(5)
3.590(5)
3.609(5)
3.643(5)
θ0 [deg] a) b)
Cs
(effective symmetry class)
(large-amplitude motion)
O=C=S ⋅ H2
69.2(5)
67.0(5)
71.7(5)
70.5(5)
71.2(5)
The complex has a T-shaped configuration. The structure was determined
from the rotationally resolved IR spectrum in the region of the ν1 fundamental band
of OCS under the assumption that the bond lengths of the monomers are unchanged
upon complexation.
a
) Uncertainties were not given in the original paper.
) Angle between the OCS axis and Rcm, see figure for the definition.
b
Tang, J., McKellar, A.R.W.: J. Chem. Phys. 116 (2002) 646.
Landolt-Börnstein
New Series II/28B