Structure Data of Free Polyatomic Molecules
267
MW
H 3O +
Oxionium
C3v
H 3O +
Isotopic species
(inversion states)
H3O+(0+) a)
H3O+(0–) a)
D3O+(0+) a)
D3O+(0–) a)
r0(H–O) [Å]
0.978229(62)
0.981178(60)
0.9762(23)
0.9774(22)
θ0(H–O–H) [deg]
114.9680(181)
113.2585(175)
113.25(99)
112.58(98)
Isotopic species
(inversion states)
H3O+(0+) a)
H3O+(0–) a)
D3O+(0+) a)
D3O+(0–) a)
rz(H–O) [Å]
0.985419(134)
0.988525(135)
0.9818(23)
0.9830(23)
θz(H–O–H) [deg]
114.307(32)
112.587(32)
112.68(100)
112.02(100)
re b)
H–O
θ e b)
H–O–H
Å
0.9702(89)
deg
109.4(38)
The inversion splitting in D3O+ is determined to be 15.35550338(107) cm–1.
a
) 0+ and 0– denote the symmetric and antisymmetric inversion states, respectively.
) Estimated from the rz structures of H3O+ and D3O+.
b
Araki, M., Ozeki, H., Saito, S.: Mol. Phys. 97 (1999) 177.
IR
re
Å
O–H 0.9744(9)
θe
H–O–H
deg
113.58(7)
Tang, J., Oka, T.: J. Mol. Spectrosc. 196 (1999) 120.
Replaces II/25A(2, 741)
Landolt-Börnstein
New Series II/28A