Structure Data of Free Polyatomic Molecules
358
MW
C 3 H 3 F5
r0
C(1)–C(2)
C(2)–C(3)
C(1)–F(s)
C(1)–F(a)
C(2)–F
C(3)–H(s)
C(3)–H(a)
1,1,1,2,2-Pentafluoropropane
Å a)
1.531(5)
1.534 b)
1.330 b)
1.338 b)
1.349(5)
1.091 b)
1.090 b)
θ0
C(1)–C(2)–C(3)
C(2)–C(3)–H(a)
C(2)–C(3)–H(s)
C(2)–C(1)–F(s)
C(2)–C(1)–F(a)
C(1)–C(2)–F
F–C(2)–F
Cs
F3C–CF2–CH3
deg a)
115.7(5)
108.0 b)
109.9 b)
111.1 b)
109.9 b)
106.9 b)
107.7 b)
The barrier height to internal rotation of CF3 was determined to
be V3 = 2.86 ± 0.72 kcal mol–1.
a
) Uncertainties were not estimated in the original paper.
) Assumed.
b
Fuchigami, K., Tatamitani, Y., Liu, B., Shimada, J., Oe, S., Ogata, T.: J. Mol. Struct. 599
(2001) 305.
Landolt-Börnstein
New Series II/28C