Microwave spectrum of the inversion—rotation transitions of the D3O+ ion: Δk = ±3n interaction and equilibrium structure
Titel:
Microwave spectrum of the inversion—rotation transitions of the D3O+ ion: Δk = ±3n interaction and equilibrium structure
Auteur:
ARAKI, MITSUNORI OZEKI, HIROYUKI SAITO, SHUJI
Verschenen in:
Molecular physics
Paginering:
Jaargang 97 (1999) nr. 1-2 pagina's 177-183
Jaar:
1999-07-20
Inhoud:
Ground state inversion—rotation transitions of the fully deuterated hydronium ion, D3O+, were observed by microwave spectroscopy. Fifty three P- and Q-branch transitions were measured precisely for the lowest pair of inversion doublets in the frequency region of 220 to 565 GHz. Inclusion of Δk = ±3n interactions in the Hamiltonian was essential for a full explanation of the observed lines, with measurement uncertainty of 20 to 60 kHz. The molecular constants, including C, for the 0+ and 0- levels, as well as the Δk = ±3n interaction parameters, were determined from this complete fitting to the data. The inversion splitting was determined to be 15.355 503 38(107) cm-1, where the number in parentheses denotes one standard deviation of the fit. Since a harmonic potential of H3O+ is available, zero-point corrections to the rotational constants of H3O+ and D3O+ were calculated and the zero-point averaged (rz) structures were derived from the zero-point corrected rotational constants. The results are as follows: [image omitted] From the shift between the rz structures of H3O+ and D3O+ the re structure of H3O+ was estimated to be re = 0.970 2(89) Å, θe = 109.4(38)°.