Structure Data of Free Polyatomic Molecules
26
MW
ArHN +2
Å
r0
Ar...H 1.8643(7)
Diazenylium – argon (1/1)
(weakly bound complex)
θ0 deg
γ a) 8.4(30)
C∞v
(effective symmetry class)
(large-amplitude motion)
H–N=N+ ⋅ Ar
The complex has a linear H-bound form. The intermolecular stretching force constant and the
wavenumber are 39.28 N m–1 and 199.2 cm–1, respectively.
a
) Average bending angle from linearity.
Seki, K., Sumiyoshi, Y., Endo, Y.: J. Chem. Phys. 117 (2002) 9750.
IR, ab initio calculations
(CCSD(T)/cGTO)
Å
re
Ar…D 1.8854(5)
1.0752(5)
D–N
1.0929(5)
N=N
D–N=N+ ⋅ Ar
The structure of the linear H-bound complex was determined from the rovibrational IR spectrum
of the ν2 stretching fundamental band.
Verdes, D., Linnartz, H., Botschwina, P.: Chem. Phys. Lett. 329 (2000) 228.
Landolt-Börnstein
New Series II/28A