Structure Data of Free Polyatomic Molecules
235
MW
C2H3ClFN
Isotopic species
CH3C14N · 35ClF
CH3C14N · 37ClF
CD3C14N · 35ClF
CH3C15N · 35ClF
Acetonitrile – chlorine fluoride (1/1)
C3v
(weakly bound complex)
(effective symmetry class)
(large-amplitude motion)
H3C–C≡N · ClF
r0(N...Cl) [Å]
2.561(2)
2.561(2)
2.561(2)
2.561(2)
r0(Rcm) [Å]
4.459(2)
4.438(2)
4.572(2)
4.428(2)
θ0(αav) a) [deg]
10(2)
10(2)
10(2)
10(2)
θ0(βav) a) [deg]
7(1)
7(1)
7(1)
7(1)
The intermolecular stretching and bending force
constants are 13.96 N m–1 and 3.00×10–20 J rad–2,
respectively.
a
) See figure for the definition. Average value.
Page, M.D., Waclawik, E.R., Holloway, J.H., Legon, A.C.: J. Mol. Struct. 509 (1999) 55.
Landolt-Börnstein
New Series II/28B