Structure Data of Free Polyatomic Molecules
844
MW
C8H10
θ0
α a)
β b)
1,3-Dimethylbenzene
m-Xylene
deg
30.2275(215)
59.7725(215)
The internal rotation barrier V3 is 53.6 J mol–1.
a
) Angle between the internal rotational axis and the a principal inertial axis.
) Angle between the internal rotational axis and the b principal inertial axis.
b
Thomsen, C., Dreizler, H.: Z. Naturforsch. A 56 (2001) 635.
Landolt-Börnstein
New Series II/28D
G36
CH3
CH3