Structure Data of Free Polyatomic Molecules
711
MW
C6H5FNe
r0
Rcm
R⊥ a ) b )
R║ a) c)
Atom
F(1)
H(2)
H(3)
H(4)
H(5)
H(6)
C(1)
C(2)
C(3)
C(4)
C(5)
C(6)
cm d)
cr e)
Ne
Fluorobenzene – neon (1/1)
(weakly bound complex)
Å
3.448(7)
3.422(1)
–0.39(1)
a0 [Å]
–2.087
–0.986
0.849
1.778
0.849
–0.986
–1.079
–0.589
0.451
0.974
0.451
–0.589
–0.444
–0.053
2.136
b0 [Å]
–1.079
–0.091
1.554
2.387
1.554
–0.091
–0.175
0.265
1.197
1.666
1.197
0.265
0.394
0.745
–1.893
θ0
ϕ a)
deg
6.6(2)
Cs
(effective symmetry class)
(large-amplitude motion)
F
. Ne
c0 [Å]
0.0
–2.158
–2.151
0.0
2.151
2.158
0.0
–1.218
–1.209
0.0
1.209
1.218
0.0
0.0
0.0
The neon atom sits nearly above the center of the fluorobenzene, shifted 0.13(1) Å from the
center of the ring toward the fluorinated carbon atom.
a
) See figure for the definition (c' is the principal axis of fluorobenzene).
) Distance between Ne and the ring plane.
c
) Minus sign indicates a shift from the center of mass of fluorobenzene toward the ring center.
d
) Center of mass of the fluorobenzene monomer.
e
) Center of the ring of the fluorobenzene monomer.
b
Wilson, R.J., Peebles, S.A., Antolínez, S., Sanz, M.E., Kuczkowski, R.L.: J. Phys. Chem. A
102 (1998) 10630.
Landolt-Börnstein
New Series II/28D