Structure Data of Free Polyatomic Molecules
242
MW
C 2 H 3 F2 N
Isotopic
species
CH3C14N · F2
CD3C14N · F2
CH3C15N · F2
Methyl cyanide – difluorine (1/1)
Acetonitrile – difluorine (1/1)
(weakly bound complex)
r0(Rcm)
[Å]
4.780(3)
4.893(3)
4.749(3)
r0(N...F(i)) a)
[Å]
2.748(3)
2.747(3)
2.749(3)
θ0(α) b)
[deg]
13.18(14)
12.54(15)
13.18 e)
θ0(β) b)
[deg]
20(5) d)
20(5) d)
20(5) d)
C3v
(effective symmetry class)
(large-amplitude motion)
H3C−C≡N · F2
kσ c)
[N m–1]
2.488
2.458
2.535
a
) F(i) denotes the fluorine atom which is
closer to NCCH3, of the two.
b
) Average values.
c
) Intermolecular stretching force constant.
d
) Assumed.
e
) Assumed unchanged from CH3C14N · F2.
Cotti, G., Cooke, S.A., Evans, C.M., Holloway, J.H., Legon, A.C.: Chem. Phys. Lett. 260
(1996) 388.
Landolt-Börnstein
New Series II/28B