The Ground State Spectroscopic Parameters and Equilibrium Structure of PD3

✍ Scribed by E. Canè; L. Fusina; H. Bürger; W. Jerzembeck; S. Brünken; F. Lewen; G. Winnewisser

• Publisher: Elsevier Science
• Year: 2002
• Tongue: English
• Weight: 145 KB
• Volume: 215
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.2002.8626

✦ Synopsis

Infrared spectra of PD 3 have been measured in the 20-320 cm -1 range and in the region of the ν 2 /ν 4 and ν 1 /ν 3 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 J = +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 K = 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 PH 3 and PD 3 ; the equilibrium structures, r e (PH) = 141.1607(83) pm and α e (HPH) = 93.4184(95) • and r e (PD) = 141.1785(57) pm and α e (DPD) = 93.4252(68) • , are in good agreement.