Infrared spectra of PD3 have been measured in the 20-320 cm-1 range and in the region of the ν2/ν4 and ν1/ν3 fundamental bands near 750 and 1690 cm-1, respectively, with a resolution of ca. 0.0025 cm-1. Furthermore, submillimeter-wave spectra covering the J = 4-3, 13-12, and 14-13 clusters in the vibrational ground state were recorded. The observed ΔJ = +1 rotational lines were augmented by about 5500 ground state combination differences formed from transitions belonging to the fundamental bands. Of these, 1300 involved perturbation-allowed lines with ΔK ≠ 0. These data and observations taken from the literature were appropriately weighted and fitted to 14 ground state molecular constants. The A and B reductions of the rotational Hamiltonian were found to be equivalent. Improved effective ground state and equilibrium structures were determined for both PH3 and PD3; the equilibrium structures, re (PH) = 141.1607(83) pm and αe (HPH) = 93.4184(95)° and re (PD) = 141.1785(57) pm and αe (DPD) = 93.4252(68)°, are in good agreement. © 2002 Elsevier Science (USA).
Cane' E., Fusina L., Burger H., Jerzembeck W., Brunken S., Lewen F., et al. (2002). The ground state spectroscopic parameters and equilibrium structure of PD3. JOURNAL OF MOLECULAR SPECTROSCOPY, 215(1), 1-9 [10.1006/jmsp.2002.8626].
The ground state spectroscopic parameters and equilibrium structure of PD3
Cane' E.Primo
;Fusina L.
Secondo
;
2002
Abstract
Infrared spectra of PD3 have been measured in the 20-320 cm-1 range and in the region of the ν2/ν4 and ν1/ν3 fundamental bands near 750 and 1690 cm-1, respectively, with a resolution of ca. 0.0025 cm-1. Furthermore, submillimeter-wave spectra covering the J = 4-3, 13-12, and 14-13 clusters in the vibrational ground state were recorded. The observed ΔJ = +1 rotational lines were augmented by about 5500 ground state combination differences formed from transitions belonging to the fundamental bands. Of these, 1300 involved perturbation-allowed lines with ΔK ≠ 0. These data and observations taken from the literature were appropriately weighted and fitted to 14 ground state molecular constants. The A and B reductions of the rotational Hamiltonian were found to be equivalent. Improved effective ground state and equilibrium structures were determined for both PH3 and PD3; the equilibrium structures, re (PH) = 141.1607(83) pm and αe (HPH) = 93.4184(95)° and re (PD) = 141.1785(57) pm and αe (DPD) = 93.4252(68)°, are in good agreement. © 2002 Elsevier Science (USA).I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
