Structure Data of Free Polyatomic Molecules
419
MW
C3H7FO
r0
C(α)–C(β)
C(α)...C(α)
C(α)–O
C(β)...O
O...F
O...H
F...H(α)
Oxetane – hydrogen fluoride (1/1)
(weakly bound complex)
Å a)
1.565(6)
2.0833(7)
1.419(11)
2.132(11)
2.579(12)
1.66(5)
3.17(3)
θ0
C(α)–C(β)–C(α)
C(β)–C(α)–O
C(α)–O–C(α)
φ b)
φ b)
θ b)
deg a)
83.5(5)
91.1(5)
94.5(10)
125.5(5)
129(2)
10(6)
Cs
(effective symmetry class)
(large-amplitude motion)
O . HF
HF lies in the symmetry plane bisecting the COC ring
angle. A planar ring configuration of oxetane subunit
in the complex shows no significant structural changes
upon complexation.
a
) Estimated standard errors.
) See figure for the definition.
b
Sanz, M.E., Sanz, V.M., López, J.C., Alonso, J.L.: Chem. Phys. Lett. 342 (2001) 31.
Replaces II/25C (3, 1312)
Landolt-Börnstein
New Series II/28C