Structure Data of Free Polyatomic Molecules
74
MW
CHCl3
a
Chloroform
Trichloromethane
C3v
CHCl3
θ0
deg
107.81(2)
111.08(2)
θIε
deg
107.61(14)
111.27(14)
θs
H–C–Cl
Cl–C–Cl
deg a)
107.70(6)
111.18(6)
Å
θ ρm
deg
1.105(7)
1.755(2)
H–C–Cl
Cl–C–Cl
107.57(22)
111.30(20)
rz
C–H
C–Cl
Å
1.081(2)
1.7658(2)
H–C–Cl
Cl–C–Cl
θz
deg
108.27(2)
110.65(2)
r e b)
C–H
C–Cl
Å
1.080(2)
1.760(2)
θe b)
deg
108.23(2)
110.68(2)
r0
C–H
C–Cl
Å
1.096(3)
1.7609(2)
H–C–Cl
Cl–C–Cl
rIε
C–H
C–Cl
Å
1.101(4)
1.758(1)
H–C–Cl
Cl–C–Cl
rs
C–H
C–Cl
Å a)
1.102(5)
1.759(2)
r ρm
C–H
C–Cl
H–C–Cl
Cl–C–Cl
) Uncertainties were not estimated in the original paper.
) Estimated by combining rz and ab initio structure.
b
Colmont, J.-M., Priem, D., Dréan, P., Demaison, J., Boggs, J.E.: J. Mol. Spectrosc. 191 (1998)
158.
Replaces II/25B(3, 147)
Landolt-Börnstein
New Series II/28B