Structure Data of Free Polyatomic Molecules
547
MW
C4H7BrO
r0
O...H
Å
C4H6O · H79Br
1.799(5)
2,5-Dihydrofuran – hydrogen bromide (1/1)
Cs
(weakly bound complex)
(effective symmetry class)
(large-amplitude motion)
θ0
αaz a)
β b)
ϕ a)
γ a)
deg
C4H6O · H Br C4H6O · H81Br
23.674(4)
23.635(4)
24.85(1)
24.87(1)
122.5(3)
10.2(1)
79
A detailed interpretation of the spectroscopic constants
establishes that the complex has Cs symmetry, with
the HBr subunit lying in the molecular symmetry
plane and forming a hydrogen bond to the oxygen
atom of 2,5-dihydrofuran.
a
) See figure for the definition.
) Average angle between the Rcm axis and the HBr molecular axis.
b
Cooke, S.A, Corlett, G.K., Evans, C.M., Legon, A.C.: J. Chem. Soc., Faraday Trans.
93 (1997) 2973.
Landolt-Börnstein
New Series II/28C
O . HBr